吲哚-3-乙酸
TL;DR: 吲哚-3-乙酸 (CAS 87-51-4) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲哚-3-乙酸
2-(1H-indol-3-yl)acetic acid
Also Known As: indole-3-acetic acid, indoleacetic acid, 3-Indoleacetic acid, Heteroauxin, Rhizopin
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
| Melting Point | 168.5 °C |
| Solubility | 1.5 mg/mL |
| Vapor Pressure | 0.00000526 [mmHg] |
Chemical Identifiers
| CAS Number | 87-51-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC(=O)O |
| InChIKey | SEOVTRFCIGRIMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吲哚-3-乙酸 (CAS 87-51-4), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 2-(1H-indol-3-yl)acetic acid.
Chemical Property Profile of 吲哚-3-乙酸
Property Insights of 吲哚-3-乙酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吲哚-3-乙酸. With a topological polar surface area (TPSA) of 53.1 Ų, 吲哚-3-乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吲哚-3-乙酸 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-乙酸?
The CAS number of 吲哚-3-乙酸 is 87-51-4.
What is the molecular formula of 吲哚-3-乙酸?
The molecular formula of 吲哚-3-乙酸 is C10H9NO2.
What is the molecular weight of 吲哚-3-乙酸?
The molecular weight of 吲哚-3-乙酸 is 175.06 g/mol.
Where can I buy 吲哚-3-乙酸?
You can request a quote for 吲哚-3-乙酸 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-乙酸?
Yes, KEHONG BIO provides custom synthesis services for 吲哚-3-乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.