Benzoic acid, 3-fluoropropyl ester
TL;DR: Benzoic acid, 3-fluoropropyl ester (CAS 614-50-6) is a chemical compound with molecular formula C10H11FO2 and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoropropyl benzoate
Also Known As: 3-Fluoropropyl benzoate, 3-Fluoropropyl=benzoate, BENZOIC ACID, 3-FLUOROPROPYL ESTER, 1-Propanol, 3-fluoro-, benzoate, RefChem:327219
| Molecular Formula | C10H11FO2 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.07431 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 614-50-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCCF |
| InChIKey | FWFWAWNZMBTGHN-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-fluoropropyl ester (CAS 614-50-6), with molecular formula C10H11FO2 and molecular weight 182.07 g/mol. IUPAC: 3-fluoropropyl benzoate.
Chemical Property Profile of Benzoic acid, 3-fluoropropyl ester
Property Insights of Benzoic acid, 3-fluoropropyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-fluoropropyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 3-fluoropropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-fluoropropyl ester has 0 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 Benzoic acid, 3-fluoropropyl ester?
The CAS number of Benzoic acid, 3-fluoropropyl ester is 614-50-6.
What is the molecular formula of Benzoic acid, 3-fluoropropyl ester?
The molecular formula of Benzoic acid, 3-fluoropropyl ester is C10H11FO2.
What is the molecular weight of Benzoic acid, 3-fluoropropyl ester?
The molecular weight of Benzoic acid, 3-fluoropropyl ester is 182.07 g/mol.
Where can I buy Benzoic acid, 3-fluoropropyl ester?
You can request a quote for Benzoic acid, 3-fluoropropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-fluoropropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-fluoropropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.