[email protected]
CAS 1368101-28-3 1-Methyl-imidazo[1,5-a]pyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 1368101-28-3

1-Methyl-imidazo[1,5-a]pyridine-3-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.20250519 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1368101-28-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1368101-28-3 / 1-methylimidazo[1,5-a]pyridine-3-carboxylic acid

Standard CAS: 1368101-28-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1368101-28-3
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
CC1=C2C=CC=CN2C(=N1)C(=O)O
InChI
InChI=1S/C9H8N2O2/c1-6-7-4-2-3-5-11(7)8(10-6)9(12)13/h2-5H,1H3,(H,12,13)
InChIKey
NSNHJZMZIFVGEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.89
TPSA
54.6

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
2.1
Consensus LogP
1.54
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

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