2-Chloroethyl 3,4,5-trimethoxybenzoate
TL;DR: 2-Chloroethyl 3,4,5-trimethoxybenzoate (CAS 1027-24-3) is a chemical compound with molecular formula C12H15ClO5 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 3,4,5-trimethoxybenzoate
Also Known As: 2-chloroethyl 3,4,5-trimethoxybenzoate, 3,4,5-trimethoxy-benzoic acid-beta-chloro-ethylester, 3,4,5-trimethoxy-benzoic acid-, A-chloro-ethylester
| Molecular Formula | C12H15ClO5 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 2.108 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.0608 |
| Heavy Atoms | 18 |
| Complexity | 393.92395 |
Chemical Identifiers
| CAS Number | 1027-24-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCCl |
Product Overview
2-Chloroethyl 3,4,5-trimethoxybenzoate (CAS 1027-24-3), with molecular formula C12H15ClO5 and molecular weight 274.06 g/mol. IUPAC: 2-chloroethyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2-Chloroethyl 3,4,5-trimethoxybenzoate
Property Insights of 2-Chloroethyl 3,4,5-trimethoxybenzoate
The XLogP value of 2.108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl 3,4,5-trimethoxybenzoate. With a topological polar surface area (TPSA) of 53.99 Ų, 2-Chloroethyl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 5 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 2-Chloroethyl 3,4,5-trimethoxybenzoate?
The CAS number of 2-Chloroethyl 3,4,5-trimethoxybenzoate is 1027-24-3.
What is the molecular formula of 2-Chloroethyl 3,4,5-trimethoxybenzoate?
The molecular formula of 2-Chloroethyl 3,4,5-trimethoxybenzoate is C12H15ClO5.
What is the molecular weight of 2-Chloroethyl 3,4,5-trimethoxybenzoate?
The molecular weight of 2-Chloroethyl 3,4,5-trimethoxybenzoate is 274.06 g/mol.
Where can I buy 2-Chloroethyl 3,4,5-trimethoxybenzoate?
You can request a quote for 2-Chloroethyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.