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CAS 2070009-61-7 Z-Gly-Gly-Arg-AMC (acetate) molecular structure lightbox
CAS RN: 2070009-61-7

Z-Gly-Gly-Arg-AMC (acetate)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260524 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2070009-61-7
  • Purity/Analytical Methods: >99.0%
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2070009-61-7 / acetic acid;benzyl N-[2-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate

Standard CAS: 2070009-61-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2070009-61-7
Multi CAS
No
Molecular Formula
C30H37N7O9
Molecular Weight
639.700000
Exact Mass
639.265276
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)OCC3=CC=CC=C3.CC(=O)O
InChI
InChI=1S/C28H33N7O7.C2H4O2/c1-17-12-25(38)42-22-13-19(9-10-20(17)22)34-26(39)21(8-5-11-31-27(29)30)35-24(37)15-32-23(36)14-33-28(40)41-16-18-6-3-2-4-7-18;1-2(3)4/h2-4,6-7,9-10,12-13,21H,5,8,11,14-16H2,1H3,(H,32,36)(H,33,40)(H,34,39)(H,35,37)(H4,29,30,31);1H3,(H,3,4)/t21-;/m0./s1
InChIKey
AVVGJZBMODPHEX-BOXHHOBZSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
13
H-bond acceptors
9
H-bond donors
7
Molar refractivity
168.64
TPSA
257.54

LogP / Solubility

WLOGP
0.71
MLOGP
0.68
XLogP3
0.71
Consensus LogP
0.7
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.12

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
4.5

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