吲哚-3-甲酸
TL;DR: 吲哚-3-甲酸 (CAS 771-50-6) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲哚-3-甲酸
1H-indole-3-carboxylic acid
Also Known As: Indole-3-carboxylic acid, 1H-Indole-3-carboxylic acid, 3-Indoleformic acid, 3-Carboxyindole, 3-Indolecarboxylic acid
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
| Melting Point | 206.5 °C |
Chemical Identifiers
| CAS Number | 771-50-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(=O)O |
| InChIKey | KMAKOBLIOCQGJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吲哚-3-甲酸 (CAS 771-50-6), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 1H-indole-3-carboxylic acid.
Chemical Property Profile of 吲哚-3-甲酸
Property Insights of 吲哚-3-甲酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吲哚-3-甲酸. With a topological polar surface area (TPSA) of 53.1 Ų, 吲哚-3-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吲哚-3-甲酸 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 吲哚-3-甲酸?
The CAS number of 吲哚-3-甲酸 is 771-50-6.
What is the molecular formula of 吲哚-3-甲酸?
The molecular formula of 吲哚-3-甲酸 is C9H7NO2.
What is the molecular weight of 吲哚-3-甲酸?
The molecular weight of 吲哚-3-甲酸 is 161.05 g/mol.
Where can I buy 吲哚-3-甲酸?
You can request a quote for 吲哚-3-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吲哚-3-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 吲哚-3-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.