苯甲酸2,2-二甲氧基-3-氟丙酯
TL;DR: 苯甲酸2,2-二甲氧基-3-氟丙酯 (CAS 62522-69-4) is a chemical compound with molecular formula C12H15FO4 and molecular weight 242.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸2,2-二甲氧基-3-氟丙酯
(3-fluoro-2,2-dimethoxypropyl) benzoate
Also Known As: 2,2-Dimethoxy-3-Fluoropropyl Benzoate, Fluorohydroxyacetonedimethyl ketal benzoate, (3-fluoro-2,2-dimethoxypropyl) benzoate, 1-Benzoyloxy-2,2-dimethoxy-3-fluoropropane, 3-fluoro-2,2-dimethoxypropyl benzoate
| Molecular Formula | C12H15FO4 |
|---|---|
| Molecular Weight | 242.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.09544 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 62522-69-4 |
|---|---|
| SMILES | COC(COC(=O)C1=CC=CC=C1)(CF)OC |
| InChIKey | VWKVIUQVIQYURO-UHFFFAOYSA-N |
Product Overview
苯甲酸2,2-二甲氧基-3-氟丙酯 (CAS 62522-69-4), with molecular formula C12H15FO4 and molecular weight 242.10 g/mol. IUPAC: (3-fluoro-2,2-dimethoxypropyl) benzoate.
Chemical Property Profile of 苯甲酸2,2-二甲氧基-3-氟丙酯
Property Insights of 苯甲酸2,2-二甲氧基-3-氟丙酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酸2,2-二甲氧基-3-氟丙酯. With a topological polar surface area (TPSA) of 44.8 Ų, 苯甲酸2,2-二甲氧基-3-氟丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸2,2-二甲氧基-3-氟丙酯 has 0 hydrogen bond donor(s) and 5 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2,2-二甲氧基-3-氟丙酯?
The CAS number of 苯甲酸2,2-二甲氧基-3-氟丙酯 is 62522-69-4.
What is the molecular formula of 苯甲酸2,2-二甲氧基-3-氟丙酯?
The molecular formula of 苯甲酸2,2-二甲氧基-3-氟丙酯 is C12H15FO4.
What is the molecular weight of 苯甲酸2,2-二甲氧基-3-氟丙酯?
The molecular weight of 苯甲酸2,2-二甲氧基-3-氟丙酯 is 242.10 g/mol.
Where can I buy 苯甲酸2,2-二甲氧基-3-氟丙酯?
You can request a quote for 苯甲酸2,2-二甲氧基-3-氟丙酯 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2,2-二甲氧基-3-氟丙酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸2,2-二甲氧基-3-氟丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.