3-(1H-吲哚-3-基)丙烯酸
TL;DR: 3-(1H-吲哚-3-基)丙烯酸 (CAS 1204-06-4) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-吲哚-3-基)丙烯酸
3-(1H-indol-3-yl)prop-2-enoic acid
Also Known As: 3-Indoleacrylic acid, Indoleacrylic acid, Indole-3-acrylic, trans-3-Indoleacrylic acid, INDOLE-3-ACRYLIC ACID
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 1204-06-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O |
| InChIKey | PLVPPLCLBIEYEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1H-吲哚-3-基)丙烯酸 (CAS 1204-06-4), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 3-(1H-indol-3-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(1H-吲哚-3-基)丙烯酸
Property Insights of 3-(1H-吲哚-3-基)丙烯酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-吲哚-3-基)丙烯酸. With a topological polar surface area (TPSA) of 53.1 Ų, 3-(1H-吲哚-3-基)丙烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-吲哚-3-基)丙烯酸 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 3-(1H-吲哚-3-基)丙烯酸?
The CAS number of 3-(1H-吲哚-3-基)丙烯酸 is 1204-06-4.
What is the molecular formula of 3-(1H-吲哚-3-基)丙烯酸?
The molecular formula of 3-(1H-吲哚-3-基)丙烯酸 is C11H9NO2.
What is the molecular weight of 3-(1H-吲哚-3-基)丙烯酸?
The molecular weight of 3-(1H-吲哚-3-基)丙烯酸 is 187.06 g/mol.
Where can I buy 3-(1H-吲哚-3-基)丙烯酸?
You can request a quote for 3-(1H-吲哚-3-基)丙烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-吲哚-3-基)丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-吲哚-3-基)丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.