Hexyl 4-chlorobenzoate
TL;DR: Hexyl 4-chlorobenzoate (CAS 64934-84-5) is a chemical compound with molecular formula C13H17ClO2 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 4-chlorobenzoate
Also Known As: Hexyl 4-chlorobenzoate, Hexyl 4-chlorobenzoate #, 4-Chlorobenzoic acid, hexyl ester, 4-Chlorobenzoic acid hexyl ester, 4-Chlorobenzoic acid,hexyl ester
| Molecular Formula | C13H17ClO2 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 240.0917 |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 64934-84-5 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | WNIDDGDBCDWAIE-UHFFFAOYSA-N |
Product Overview
Hexyl 4-chlorobenzoate (CAS 64934-84-5), with molecular formula C13H17ClO2 and molecular weight 240.09 g/mol. IUPAC: hexyl 4-chlorobenzoate.
Chemical Property Profile of Hexyl 4-chlorobenzoate
Property Insights of Hexyl 4-chlorobenzoate
The XLogP value of 5.3 indicates that Hexyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 4-chlorobenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexyl 4-chlorobenzoate?
The CAS number of Hexyl 4-chlorobenzoate is 64934-84-5.
What is the molecular formula of Hexyl 4-chlorobenzoate?
The molecular formula of Hexyl 4-chlorobenzoate is C13H17ClO2.
What is the molecular weight of Hexyl 4-chlorobenzoate?
The molecular weight of Hexyl 4-chlorobenzoate is 240.09 g/mol.
Where can I buy Hexyl 4-chlorobenzoate?
You can request a quote for Hexyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.