吲哚-3-丁酸
TL;DR: 吲哚-3-丁酸 (CAS 133-32-4) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲哚-3-丁酸
4-(1H-indol-3-yl)butanoic acid
Also Known As: Indole-3-butyric acid, 3-Indolebutyric acid, Indolebutyric acid, Hormodin, 4-(1H-Indol-3-yl)butanoic acid
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
| Melting Point | 124.5 |
| Solubility | 250 |
| Vapor Pressure | 0.00000117 [mmHg] |
Chemical Identifiers
| CAS Number | 133-32-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O |
| InChIKey | JTEDVYBZBROSJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吲哚-3-丁酸 (CAS 133-32-4), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 4-(1H-indol-3-yl)butanoic acid.
Chemical Property Profile of 吲哚-3-丁酸
Property Insights of 吲哚-3-丁酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吲哚-3-丁酸. With a topological polar surface area (TPSA) of 53.1 Ų, 吲哚-3-丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吲哚-3-丁酸 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-丁酸?
The CAS number of 吲哚-3-丁酸 is 133-32-4.
What is the molecular formula of 吲哚-3-丁酸?
The molecular formula of 吲哚-3-丁酸 is C12H13NO2.
What is the molecular weight of 吲哚-3-丁酸?
The molecular weight of 吲哚-3-丁酸 is 203.09 g/mol.
Where can I buy 吲哚-3-丁酸?
You can request a quote for 吲哚-3-丁酸 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-丁酸?
Yes, KEHONG BIO provides custom synthesis services for 吲哚-3-丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.