[email protected]
CAS 165250-34-0 1H-INDOLE-3-PROPANOL,5-BROMO- molecular structure lightbox
CAS RN: 165250-34-0

1H-INDOLE-3-PROPANOL,5-BROMO-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251207 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS165250-34-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

165250-34-0 / 3-(5-bromo-1H-indol-3-yl)propan-1-ol

Standard CAS: 165250-34-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
165250-34-0
Multi CAS
No
Molecular Formula
C11H12BrNO
Molecular Weight
254.120000
Exact Mass
253.010230
SMILES
C1=CC2=C(C=C1Br)C(=CN2)CCCO
InChI
InChI=1S/C11H12BrNO/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-14/h3-4,6-7,13-14H,1-2,5H2
InChIKey
VKGAKHODTYGPGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
61.41
TPSA
36.02

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
1.9
Consensus LogP
2.43
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-2.24

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us