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CAS 88899-22-3 BZ-PHE-VAL-ARG-AMC molecular structure lightbox
CAS RN: 88899-22-3

BZ-PHE-VAL-ARG-AMC

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251014 5mg / 25mg Confirm by inquiry Shanghai Inquiry
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Batchno.20260402 100mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS88899-22-3
  • Purity/Analytical Methods: >99.0%
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88899-22-3 / N-[1-[[1-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

Standard CAS: 88899-22-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88899-22-3
Multi CAS
Yes
Molecular Formula
C37H43N7O6
Molecular Weight
681.800000
Exact Mass
681.327482
InChI
InChI=1S/C37H43N7O6/c1-22(2)32(44-35(48)29(20-24-11-6-4-7-12-24)43-33(46)25-13-8-5-9-14-25)36(49)42-28(15-10-18-40-37(38)39)34(47)41-26-16-17-27-23(3)19-31(45)50-30(27)21-26/h4-9,11-14,16-17,19,21-22,28-29,32H,10,15,18,20H2,1-3H3,(H,41,47)(H,42,49)(H,43,46)(H,44,48)(H4,38,39,40)/t28-,29-,32-/m0/s1
InChIKey
QBDRNGBZKAOZHF-OLWNVYNHSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
22
Fraction Csp3
0.3
Rotatable bonds
15
H-bond acceptors
7
H-bond donors
6
Molar refractivity
192.3
TPSA
211.01

LogP / Solubility

WLOGP
2.76
MLOGP
2.49
XLogP3
3.3
Consensus LogP
2.85
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.92

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
6

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