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CAS 428868-35-3 (7BR,10AR)-2,3,4,7B,8,9,10,10A-OCTAHYDRO-1H-CYCLOPENTA[B][1,4]DIAZEPINO[6,7,1-HI]INDOLE HYDROCHLORIDE molecular structure lightbox
CAS RN: 428868-35-3

(7BR,10AR)-2,3,4,7B,8,9,10,10A-OCTAHYDRO-1H-CYCLOPENTA[B][1,4]DIAZEPINO[6,7,1-HI]INDOLE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS428868-35-3
  • Purity/Analytical Methods: >99.0%
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428868-35-3 / (11R,15R)-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene;hydrochloride

Standard CAS: 428868-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
428868-35-3
Multi CAS
No
Molecular Formula
C14H19CLN2
Molecular Weight
250.770000
Exact Mass
250.123676
InChI
InChI=1S/C14H18N2.ClH/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16;/h1,3,5,11,13,15H,2,4,6-9H2;1H/t11-,13-;/m1./s1
InChIKey
UJVFYZZBCUXMDV-LOCPCMAASA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.12
TPSA
15.27

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
2.67
Consensus LogP
2.56
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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