[email protected]
CAS 481630-48-2 1-benzyl-4-bromo-indole molecular structure lightbox
CAS RN: 481630-48-2

1-benzyl-4-bromo-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.20250605 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS481630-48-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

481630-48-2 / 1-benzyl-4-bromoindole

Standard CAS: 481630-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
481630-48-2
Multi CAS
No
Molecular Formula
BC15H12Rn
Molecular Weight
286.170000
Exact Mass
285.015310
InChI
InChI=1S/C15H12BrN/c16-14-7-4-8-15-13(14)9-10-17(15)11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKey
NLHDUFSIMDYGHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
75.18
TPSA
4.93

LogP / Solubility

WLOGP
4.45
MLOGP
3.93
XLogP3
4.3
Consensus LogP
4.23
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.3

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us