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CAS 136132-67-7 N-ALPHA-CBZ-ARG-ARG 7-AMIDO-4-METHYLCOUMARIN HYDROCHLORIDE molecular structure lightbox
CAS RN: 136132-67-7

N-ALPHA-CBZ-ARG-ARG 7-AMIDO-4-METHYLCOUMARIN HYDROCHLORIDE

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250617 25mg In stock Shanghai, Shandong Inquiry
Batchno.20250116 5mg In stock Shandong, Guangdong Inquiry
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Batchno.20260307 100mg In stock Shanghai Inquiry
Batchno.20260320 10mg In stock Shanghai Inquiry
Batchno.20260411 250mg In stock Shanghai Inquiry
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Batchno.20250220 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS136132-67-7
  • Purity/Analytical Methods: >99.0%
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136132-67-7 / benzyl N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate;hydrochloride

Standard CAS: 136132-67-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
136132-67-7
Multi CAS
No
Molecular Formula
C30H40ClN9O6
Molecular Weight
658.100000
Exact Mass
657.279008
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3.Cl
InChI
InChI=1S/C30H39N9O6.ClH/c1-18-15-25(40)45-24-16-20(11-12-21(18)24)37-26(41)22(9-5-13-35-28(31)32)38-27(42)23(10-6-14-36-29(33)34)39-30(43)44-17-19-7-3-2-4-8-19;/h2-4,7-8,11-12,15-16,22-23H,5-6,9-10,13-14,17H2,1H3,(H,37,41)(H,38,42)(H,39,43)(H4,31,32,35)(H4,33,34,36);1H/t22-,23-;/m0./s1
InChIKey
HLSNWWKWVKPXKI-SJEIDVEUSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
16
Fraction Csp3
0.33
Rotatable bonds
15
H-bond acceptors
8
H-bond donors
7
Molar refractivity
178.4
TPSA
255.54

LogP / Solubility

WLOGP
1.35
MLOGP
1.24
XLogP3
1.35
Consensus LogP
1.31
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.78

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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