Heptyl 3-chlorobenzoate
TL;DR: Heptyl 3-chlorobenzoate (CAS 80345-34-2) is a chemical compound with molecular formula C14H19ClO2 and molecular weight 254.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 3-chlorobenzoate
Also Known As: heptyl 3-chlorobenzoate, n-Heptyl m-chlorobenzoate, Benzoic acid, 3-chloro, heptyl ester
| Molecular Formula | C14H19ClO2 |
|---|---|
| Molecular Weight | 254.11 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 254.10736 |
| Heavy Atoms | 17 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 80345-34-2 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC(=CC=C1)Cl |
| InChIKey | BJVCNNYBXULVBS-UHFFFAOYSA-N |
Product Overview
Heptyl 3-chlorobenzoate (CAS 80345-34-2), with molecular formula C14H19ClO2 and molecular weight 254.11 g/mol. IUPAC: heptyl 3-chlorobenzoate.
Chemical Property Profile of Heptyl 3-chlorobenzoate
Property Insights of Heptyl 3-chlorobenzoate
The XLogP value of 5.8 indicates that Heptyl 3-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, Heptyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 3-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 Heptyl 3-chlorobenzoate?
The CAS number of Heptyl 3-chlorobenzoate is 80345-34-2.
What is the molecular formula of Heptyl 3-chlorobenzoate?
The molecular formula of Heptyl 3-chlorobenzoate is C14H19ClO2.
What is the molecular weight of Heptyl 3-chlorobenzoate?
The molecular weight of Heptyl 3-chlorobenzoate is 254.11 g/mol.
Where can I buy Heptyl 3-chlorobenzoate?
You can request a quote for Heptyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.