3-(1-甲基吲哚-2-基)丙烯酸
TL;DR: 3-(1-甲基吲哚-2-基)丙烯酸 (CAS 132418-68-9) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-甲基吲哚-2-基)丙烯酸
3-(1-methylindol-2-yl)prop-2-enoic acid
Also Known As: 3-(1-methylindol-2-yl)prop-2-enoic acid, 3-(1-methyl-1h-indol-2-yl)prop-2-enoic acid, (2E)-3-(1-methyl-1H-indol-2-yl)prop-2-enoic acid
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 132418-68-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C=C1C=CC(=O)O |
| InChIKey | UEWKUVAAIKIGEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1-甲基吲哚-2-基)丙烯酸 (CAS 132418-68-9), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: 3-(1-methylindol-2-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(1-甲基吲哚-2-基)丙烯酸
Property Insights of 3-(1-甲基吲哚-2-基)丙烯酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-甲基吲哚-2-基)丙烯酸. With a topological polar surface area (TPSA) of 42.2 Ų, 3-(1-甲基吲哚-2-基)丙烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-甲基吲哚-2-基)丙烯酸 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 3-(1-甲基吲哚-2-基)丙烯酸?
The CAS number of 3-(1-甲基吲哚-2-基)丙烯酸 is 132418-68-9.
What is the molecular formula of 3-(1-甲基吲哚-2-基)丙烯酸?
The molecular formula of 3-(1-甲基吲哚-2-基)丙烯酸 is C12H11NO2.
What is the molecular weight of 3-(1-甲基吲哚-2-基)丙烯酸?
The molecular weight of 3-(1-甲基吲哚-2-基)丙烯酸 is 201.08 g/mol.
Where can I buy 3-(1-甲基吲哚-2-基)丙烯酸?
You can request a quote for 3-(1-甲基吲哚-2-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-(1-甲基吲哚-2-基)丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-甲基吲哚-2-基)丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.