1H-吲哚-1-丙酸
TL;DR: 1H-吲哚-1-丙酸 (CAS 6639-06-1) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-吲哚-1-丙酸
3-indol-1-ylpropanoic acid
Also Known As: 3-(1H-indol-1-yl)propanoic acid, 1-Indolepropionic acid, 1H-Indole-1-propanoic acid, 3-indol-1-ylpropanoic acid, 1H-Indole-1-propionic acid
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 6639-06-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN2CCC(=O)O |
| InChIKey | OSWNOVFZARRSKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-吲哚-1-丙酸 (CAS 6639-06-1), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 3-indol-1-ylpropanoic acid.
Chemical Property Profile of 1H-吲哚-1-丙酸
Property Insights of 1H-吲哚-1-丙酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-吲哚-1-丙酸. With a topological polar surface area (TPSA) of 42.2 Ų, 1H-吲哚-1-丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-吲哚-1-丙酸 has 1 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 1H-吲哚-1-丙酸?
The CAS number of 1H-吲哚-1-丙酸 is 6639-06-1.
What is the molecular formula of 1H-吲哚-1-丙酸?
The molecular formula of 1H-吲哚-1-丙酸 is C11H11NO2.
What is the molecular weight of 1H-吲哚-1-丙酸?
The molecular weight of 1H-吲哚-1-丙酸 is 189.08 g/mol.
Where can I buy 1H-吲哚-1-丙酸?
You can request a quote for 1H-吲哚-1-丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-吲哚-1-丙酸?
Yes, KEHONG BIO provides custom synthesis services for 1H-吲哚-1-丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.