3-(对甲苯基)丙烯酸
TL;DR: 3-(对甲苯基)丙烯酸 (CAS 1866-39-3) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(对甲苯基)丙烯酸
3-(4-methylphenyl)prop-2-enoic acid
Also Known As: 4-Methylcinnamic acid, 3-(p-Tolyl)acrylic acid, 4-methyl-cinnamic acid, 4-MethylcinnamicAcid, Ozagrel Impurity N5
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 1866-39-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=CC(=O)O |
| InChIKey | RURHILYUWQEGOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(对甲苯基)丙烯酸 (CAS 1866-39-3), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 3-(4-methylphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(对甲苯基)丙烯酸
Property Insights of 3-(对甲苯基)丙烯酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(对甲苯基)丙烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(对甲苯基)丙烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(对甲苯基)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-(对甲苯基)丙烯酸?
The CAS number of 3-(对甲苯基)丙烯酸 is 1866-39-3.
What is the molecular formula of 3-(对甲苯基)丙烯酸?
The molecular formula of 3-(对甲苯基)丙烯酸 is C10H10O2.
What is the molecular weight of 3-(对甲苯基)丙烯酸?
The molecular weight of 3-(对甲苯基)丙烯酸 is 162.07 g/mol.
Where can I buy 3-(对甲苯基)丙烯酸?
You can request a quote for 3-(对甲苯基)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-(对甲苯基)丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(对甲苯基)丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.