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Val-cit-PAB-OH

Val-cit-PAB-OH structure

CAS No:
159857-79-1
Formula:
C18H29N5O4
Chemical Name:
Val-cit-PAB-OH
Synonyms:
(S)-2-((R)-2-amino-3-methylbutanamido)-N-(4-(hydroxymethyl)phenyl)-5-ureidopentanamide;EOS-61316;(S)-2-((S)-2-amino-3-methylbutanamido)-N-(4-(hydroxymethyl)phenyl)-5-ureidopentanamide;L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-;Val-cit-PAB-OH;L-Valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide;NH2-Val-Cit-PAB;(D)-VAL-CIT-PAB
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Val-cit-PAB-OH Basic Attributes

Molecular Weight：

379.45

Exact Mass：

379.222

EC Number：

826-617-2

Characteristics

PSA：

159.57000

XLogP3：

2.28940

Density：

1.243±0.06 g/cm3

Melting Point：

168 °C(dec.)

Boiling Point：

715.0±60.0 °C(Predicted)

PKA：

13.75±0.46

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:379.5
XLogP3:-0.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:379.22195442
Monoisotopic Mass:379.22195442
Topological Polar Surface Area:160
Heavy Atom Count:27
Complexity:492
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hefei Heyu Chemical New Materials Co., Ltd Contact Supplier

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4 YRS

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VAL-CIT-PAB.

CAS No.: 159857-79-1

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ChemExpress Contact Supplier

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159857-79-1 | ChemExpress

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Shanghai Huici Medical Technology Co., Ltd. Contact Supplier

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Val-Cit-PAB

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