[email protected]
CAS 923270-50-2 Cyclopenta[c]pyrrole-1-carboxaMide, (2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-Methyl-L-valyl-N-[(1R)-1-[2-(cyclopropylaMino)-2-oxoacetyl]butyl]octahydro-, (1S,3aR,6aS)- molecular structure lightbox
CAS RN: 923270-50-2

Cyclopenta[c]pyrrole-1-carboxaMide, (2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-Methyl-L-valyl-N-[(1R)-1-[2-(cyclopropylaMino)-2-oxoacetyl]butyl]octahydro-, (1S,3aR,6aS)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251127 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS923270-50-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

923270-50-2 / (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3R)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

Standard CAS: 923270-50-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
923270-50-2
Multi CAS
Yes
Molecular Formula
C36H53N7O6
Molecular Weight
679.800000
Exact Mass
679.405732
InChI
InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25+,27-,28-,30+/m0/s1
InChIKey
BBAWEDCPNXPBQM-USXSPERKSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
13
H-bond acceptors
8
H-bond donors
4
Molar refractivity
180.59
TPSA
179.56

LogP / Solubility

WLOGP
2.45
MLOGP
2.21
XLogP3
4.2
Consensus LogP
2.95
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.67
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)
-5.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

Customers Also Viewed

Get In Touch

Contact Us