[email protected]
CAS 7546-66-9 1,2,3,4,5,6-Hexahydro-3-methylazepino[4,5-b]indole molecular structure lightbox
CAS RN: 7546-66-9

1,2,3,4,5,6-Hexahydro-3-methylazepino[4,5-b]indole

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS7546-66-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

7546-66-9 / 3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole

Standard CAS: 7546-66-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7546-66-9
Multi CAS
No
Molecular Formula
C13H16N2
Molecular Weight
200.280000
Exact Mass
200.131349
InChI
InChI=1S/C13H16N2/c1-15-8-6-11-10-4-2-3-5-12(10)14-13(11)7-9-15/h2-5,14H,6-9H2,1H3
InChIKey
WBCPONKOWIDTJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.38
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.2
TPSA
19.03

LogP / Solubility

WLOGP
2.2
MLOGP
1.93
XLogP3
2.4
Consensus LogP
2.18
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us