(3,4-Dichlorophenyl)methyl hexanoate
TL;DR: (3,4-Dichlorophenyl)methyl hexanoate (CAS 617-18-5) is a chemical compound with molecular formula C13H16Cl2O2 and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenyl)methyl hexanoate
Also Known As: 3,4-dichlorobenzyl hexanoate, (3,4-dichlorophenyl)methyl hexanoate, Hexanoic acid,(3,4-dichlorophenyl)methyl ester
| Molecular Formula | C13H16Cl2O2 |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.05273 |
| Heavy Atoms | 17 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 617-18-5 |
|---|---|
| SMILES | CCCCCC(=O)OCC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | GBDVRUMYCSFIBV-UHFFFAOYSA-N |
Product Overview
(3,4-Dichlorophenyl)methyl hexanoate (CAS 617-18-5), with molecular formula C13H16Cl2O2 and molecular weight 274.05 g/mol. IUPAC: (3,4-dichlorophenyl)methyl hexanoate.
Chemical Property Profile of (3,4-Dichlorophenyl)methyl hexanoate
Property Insights of (3,4-Dichlorophenyl)methyl hexanoate
The XLogP value of 4.8 indicates that (3,4-Dichlorophenyl)methyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (3,4-Dichlorophenyl)methyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-Dichlorophenyl)methyl hexanoate 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 (3,4-Dichlorophenyl)methyl hexanoate?
The CAS number of (3,4-Dichlorophenyl)methyl hexanoate is 617-18-5.
What is the molecular formula of (3,4-Dichlorophenyl)methyl hexanoate?
The molecular formula of (3,4-Dichlorophenyl)methyl hexanoate is C13H16Cl2O2.
What is the molecular weight of (3,4-Dichlorophenyl)methyl hexanoate?
The molecular weight of (3,4-Dichlorophenyl)methyl hexanoate is 274.05 g/mol.
Where can I buy (3,4-Dichlorophenyl)methyl hexanoate?
You can request a quote for (3,4-Dichlorophenyl)methyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-Dichlorophenyl)methyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Dichlorophenyl)methyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.