[email protected]
CAS 40174-39-8 2,3-Dimethyl-1H-benz[e]indole molecular structure lightbox
CAS RN: 40174-39-8

2,3-Dimethyl-1H-benz[e]indole

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS40174-39-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

40174-39-8 / 1,2-dimethyl-3H-benzo[e]indole

Standard CAS: 40174-39-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40174-39-8
Multi CAS
Yes
Molecular Formula
C14H13N
Molecular Weight
195.260000
Exact Mass
195.104799
InChI
InChI=1S/C14H15N/c1-10-9-13-12-6-4-3-5-11(12)7-8-14(13)15(10)2/h3-8,10H,9H2,1-2H3
InChIKey
UAMHYXAJSDOMEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
13
Fraction Csp3
0.14
H-bond donors
1
Molar refractivity
65.28
TPSA
15.79

LogP / Solubility

WLOGP
3.94
MLOGP
3.46
XLogP3
4.1
Consensus LogP
3.83
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us