[email protected]
CAS 34058-50-9 2-Methyl-1H-indole-4-carboxylic acid molecular structure lightbox
CAS RN: 34058-50-9

2-Methyl-1H-indole-4-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260606 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS34058-50-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

34058-50-9 / 2-methyl-1H-indole-4-carboxylic acid

Standard CAS: 34058-50-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34058-50-9
Multi CAS
No
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
InChI
InChI=1S/C10H9NO2/c1-6-5-8-7(10(12)13)3-2-4-9(8)11-6/h2-5,11H,1H3,(H,12,13)
InChIKey
NUBJHNKCWFUFKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
50
TPSA
53.09

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2
Consensus LogP
2.03
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us