苯甲酸3-氟-2-羟丙酯
TL;DR: 苯甲酸3-氟-2-羟丙酯 (CAS 62522-72-9) is a chemical compound with molecular formula C10H11FO3 and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸3-氟-2-羟丙酯
(3-fluoro-2-hydroxypropyl) benzoate
Also Known As: 1-Benzoyloxy-3-fluoropropan-2-ol, 3-Fluoro-2-hydroxypropyl benzoate, (3-fluoro-2-hydroxypropyl) benzoate, 3-Fluoro-2-hydroxypropyl=benzoate, 1,2-Propanediol, 3-fluoro-, 1-benzoate
| Molecular Formula | C10H11FO3 |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.06923 |
| Heavy Atoms | 14 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 62522-72-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(CF)O |
| InChIKey | JGVDQMMPENFZTL-UHFFFAOYSA-N |
Product Overview
苯甲酸3-氟-2-羟丙酯 (CAS 62522-72-9), with molecular formula C10H11FO3 and molecular weight 198.07 g/mol. IUPAC: (3-fluoro-2-hydroxypropyl) benzoate.
Chemical Property Profile of 苯甲酸3-氟-2-羟丙酯
Property Insights of 苯甲酸3-氟-2-羟丙酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酸3-氟-2-羟丙酯. With a topological polar surface area (TPSA) of 46.5 Ų, 苯甲酸3-氟-2-羟丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸3-氟-2-羟丙酯 has 1 hydrogen bond donor(s) and 4 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 苯甲酸3-氟-2-羟丙酯?
The CAS number of 苯甲酸3-氟-2-羟丙酯 is 62522-72-9.
What is the molecular formula of 苯甲酸3-氟-2-羟丙酯?
The molecular formula of 苯甲酸3-氟-2-羟丙酯 is C10H11FO3.
What is the molecular weight of 苯甲酸3-氟-2-羟丙酯?
The molecular weight of 苯甲酸3-氟-2-羟丙酯 is 198.07 g/mol.
Where can I buy 苯甲酸3-氟-2-羟丙酯?
You can request a quote for 苯甲酸3-氟-2-羟丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸3-氟-2-羟丙酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸3-氟-2-羟丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.