Methyl 7-fluoroheptanoate
TL;DR: Methyl 7-fluoroheptanoate (CAS 353-10-6) is a chemical compound with molecular formula C8H15FO2 and molecular weight 162.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-fluoroheptanoate
Also Known As: Methyl 7-fluoroheptanoate, starbld0044640, NIOSH/MJ2277000, Heptanoic acid, 7-fluoro-, methyl ester
| Molecular Formula | C8H15FO2 |
|---|---|
| Molecular Weight | 162.11 g/mol |
| LogP | 2.0794 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.1056 |
| Heavy Atoms | 11 |
| Complexity | 104.26518 |
Chemical Identifiers
| CAS Number | 353-10-6 |
|---|---|
| SMILES | COC(=O)CCCCCCF |
Product Overview
Methyl 7-fluoroheptanoate (CAS 353-10-6), with molecular formula C8H15FO2 and molecular weight 162.11 g/mol. IUPAC: methyl 7-fluoroheptanoate.
Chemical Property Profile of Methyl 7-fluoroheptanoate
Property Insights of Methyl 7-fluoroheptanoate
The XLogP value of 2.0794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7-fluoroheptanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 7-fluoroheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-fluoroheptanoate has 0 hydrogen bond donor(s) and 2 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 7-fluoroheptanoate?
The CAS number of Methyl 7-fluoroheptanoate is 353-10-6.
What is the molecular formula of Methyl 7-fluoroheptanoate?
The molecular formula of Methyl 7-fluoroheptanoate is C8H15FO2.
What is the molecular weight of Methyl 7-fluoroheptanoate?
The molecular weight of Methyl 7-fluoroheptanoate is 162.11 g/mol.
Where can I buy Methyl 7-fluoroheptanoate?
You can request a quote for Methyl 7-fluoroheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-fluoroheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-fluoroheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.