3-羟基丙酸苄酯
TL;DR: 3-羟基丙酸苄酯 (CAS 14464-10-9) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基丙酸苄酯
benzyl 3-hydroxypropanoate
Also Known As: Benzyl 3-hydroxypropionate, Benzyl 3-hydroxypropanoate, Benzyl3-Hydroxypropionate, Propanoic acid, 3-hydroxy-, phenylmethyl ester, Phenylmethyl 3-hydroxypropanoate
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 14464-10-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCO |
| InChIKey | RDRDBYYUPACJJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-羟基丙酸苄酯 (CAS 14464-10-9), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: benzyl 3-hydroxypropanoate.
Chemical Property Profile of 3-羟基丙酸苄酯
Property Insights of 3-羟基丙酸苄酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基丙酸苄酯. With a topological polar surface area (TPSA) of 46.5 Ų, 3-羟基丙酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基丙酸苄酯 has 1 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-羟基丙酸苄酯?
The CAS number of 3-羟基丙酸苄酯 is 14464-10-9.
What is the molecular formula of 3-羟基丙酸苄酯?
The molecular formula of 3-羟基丙酸苄酯 is C10H12O3.
What is the molecular weight of 3-羟基丙酸苄酯?
The molecular weight of 3-羟基丙酸苄酯 is 180.08 g/mol.
Where can I buy 3-羟基丙酸苄酯?
You can request a quote for 3-羟基丙酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基丙酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基丙酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.