Methyl 6-fluorohexanoate
TL;DR: Methyl 6-fluorohexanoate (CAS 333-07-3) is a chemical compound with molecular formula C7H13FO2 and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-fluorohexanoate
Also Known As: Methyl 6-fluorohexanoate, Methyl omega-fluorohexanoate, starbld0045450, 6-Fluorohexanoic acid methyl ester, HEXANOIC ACID, 6-FLUORO-, METHYL ESTER
| Molecular Formula | C7H13FO2 |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 148.08995 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 333-07-3 |
|---|---|
| SMILES | COC(=O)CCCCCF |
| InChIKey | LQPIFFDGZYPEAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 6-fluorohexanoate (CAS 333-07-3), with molecular formula C7H13FO2 and molecular weight 148.09 g/mol. IUPAC: methyl 6-fluorohexanoate.
Chemical Property Profile of Methyl 6-fluorohexanoate
Property Insights of Methyl 6-fluorohexanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-fluorohexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 6-fluorohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-fluorohexanoate 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 Methyl 6-fluorohexanoate?
The CAS number of Methyl 6-fluorohexanoate is 333-07-3.
What is the molecular formula of Methyl 6-fluorohexanoate?
The molecular formula of Methyl 6-fluorohexanoate is C7H13FO2.
What is the molecular weight of Methyl 6-fluorohexanoate?
The molecular weight of Methyl 6-fluorohexanoate is 148.09 g/mol.
Where can I buy Methyl 6-fluorohexanoate?
You can request a quote for Methyl 6-fluorohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-fluorohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-fluorohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.