Harman-3-Carboxylic Acid
TL;DR: Harman-3-Carboxylic Acid (CAS 22329-38-0) is a chemical compound with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid, harman-3-carboxylic acid, 1-Mbcca, 1-Methyl-9H-beta-carboline-3-carboxylic acid, 1-Methyl-beta-carboline-3-carboxylic acid
| Molecular Formula | C13H10N2O2 |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 2.72272 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.07423 |
| Heavy Atoms | 17 |
| Complexity | 743.59393 |
Chemical Identifiers
| CAS Number | 22329-38-0 |
|---|---|
| SMILES | CC1=C2C(=CC(=N1)C(=O)O)C3=CC=CC=C3N2 |
Product Overview
Harman-3-Carboxylic Acid (CAS 22329-38-0), with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol. IUPAC: 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of Harman-3-Carboxylic Acid
Property Insights of Harman-3-Carboxylic Acid
The XLogP value of 2.72272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Harman-3-Carboxylic Acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Harman-3-Carboxylic Acid. Following Lipinski's Rule of Five, Harman-3-Carboxylic Acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Harman-3-Carboxylic Acid?
The CAS number of Harman-3-Carboxylic Acid is 22329-38-0.
What is the molecular formula of Harman-3-Carboxylic Acid?
The molecular formula of Harman-3-Carboxylic Acid is C13H10N2O2.
What is the molecular weight of Harman-3-Carboxylic Acid?
The molecular weight of Harman-3-Carboxylic Acid is 226.07 g/mol.
Where can I buy Harman-3-Carboxylic Acid?
You can request a quote for Harman-3-Carboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Harman-3-Carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for Harman-3-Carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.