2-Chlorobenzoic acid, undecyl ester
TL;DR: 2-Chlorobenzoic acid, undecyl ester (CAS 97221-96-0) is a chemical compound with molecular formula C18H27ClO2 and molecular weight 310.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecyl 2-chlorobenzoate
Also Known As: Undecyl 2-chlorobenzoate, 2-Chlorobenzoic acid, undecyl ester, Undecyl 2-chlorobenzoate #, Benzoic acid, 2-chloro, undecyl ester, RefChem:259460
| Molecular Formula | C18H27ClO2 |
|---|---|
| Molecular Weight | 310.17 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 310.16995 |
| Heavy Atoms | 21 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 97221-96-0 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)C1=CC=CC=C1Cl |
| InChIKey | LZZUEDTUAJZZBG-UHFFFAOYSA-N |
Product Overview
2-Chlorobenzoic acid, undecyl ester (CAS 97221-96-0), with molecular formula C18H27ClO2 and molecular weight 310.17 g/mol. IUPAC: undecyl 2-chlorobenzoate.
Chemical Property Profile of 2-Chlorobenzoic acid, undecyl ester
Property Insights of 2-Chlorobenzoic acid, undecyl ester
The XLogP value of 8.9 indicates that 2-Chlorobenzoic acid, undecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chlorobenzoic acid, undecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorobenzoic acid, undecyl ester 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 2-Chlorobenzoic acid, undecyl ester?
The CAS number of 2-Chlorobenzoic acid, undecyl ester is 97221-96-0.
What is the molecular formula of 2-Chlorobenzoic acid, undecyl ester?
The molecular formula of 2-Chlorobenzoic acid, undecyl ester is C18H27ClO2.
What is the molecular weight of 2-Chlorobenzoic acid, undecyl ester?
The molecular weight of 2-Chlorobenzoic acid, undecyl ester is 310.17 g/mol.
Where can I buy 2-Chlorobenzoic acid, undecyl ester?
You can request a quote for 2-Chlorobenzoic acid, undecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorobenzoic acid, undecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorobenzoic acid, undecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.