Methyl 7-phenylheptanoate
TL;DR: Methyl 7-phenylheptanoate (CAS 101689-18-3) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-phenylheptanoate
Also Known As: METHYL 7-PHENYLHEPTANOATE, Methyl7-phenylheptanoate, 7-Phenyl-heptansaeure-methylester, Benzeneheptanoic acid,methyl ester, Benzeneheptanoic acid, methyl ester
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.3526 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 292.86346 |
Chemical Identifiers
| CAS Number | 101689-18-3 |
|---|---|
| SMILES | COC(=O)CCCCCCC1=CC=CC=C1 |
Product Overview
Methyl 7-phenylheptanoate (CAS 101689-18-3), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: methyl 7-phenylheptanoate.
Chemical Property Profile of Methyl 7-phenylheptanoate
Property Insights of Methyl 7-phenylheptanoate
The XLogP value of 3.3526 indicates that Methyl 7-phenylheptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 7-phenylheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-phenylheptanoate 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-phenylheptanoate?
The CAS number of Methyl 7-phenylheptanoate is 101689-18-3.
What is the molecular formula of Methyl 7-phenylheptanoate?
The molecular formula of Methyl 7-phenylheptanoate is C14H20O2.
What is the molecular weight of Methyl 7-phenylheptanoate?
The molecular weight of Methyl 7-phenylheptanoate is 220.15 g/mol.
Where can I buy Methyl 7-phenylheptanoate?
You can request a quote for Methyl 7-phenylheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-phenylheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-phenylheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.