3-(2-羟基苯基)丙酸
TL;DR: 3-(2-羟基苯基)丙酸 (CAS 495-78-3) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-羟基苯基)丙酸
3-(2-hydroxyphenyl)propanoic acid
Also Known As: 3-(2-hydroxyphenyl)propanoic acid, Melilotic acid, 3-(2-Hydroxyphenyl)propionic acid, melilotate, Melilotsaure
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| Melting Point | 82 - 83 °C |
Chemical Identifiers
| CAS Number | 495-78-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CCC(=O)O)O |
| InChIKey | CJBDUOMQLFKVQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-羟基苯基)丙酸 (CAS 495-78-3), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 3-(2-hydroxyphenyl)propanoic acid.
Chemical Property Profile of 3-(2-羟基苯基)丙酸
Property Insights of 3-(2-羟基苯基)丙酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-羟基苯基)丙酸. With a topological polar surface area (TPSA) of 57.5 Ų, 3-(2-羟基苯基)丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-羟基苯基)丙酸 has 2 hydrogen bond donor(s) and 3 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-(2-羟基苯基)丙酸?
The CAS number of 3-(2-羟基苯基)丙酸 is 495-78-3.
What is the molecular formula of 3-(2-羟基苯基)丙酸?
The molecular formula of 3-(2-羟基苯基)丙酸 is C9H10O3.
What is the molecular weight of 3-(2-羟基苯基)丙酸?
The molecular weight of 3-(2-羟基苯基)丙酸 is 166.06 g/mol.
Where can I buy 3-(2-羟基苯基)丙酸?
You can request a quote for 3-(2-羟基苯基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-羟基苯基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-羟基苯基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.