Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester
TL;DR: Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester (CAS 5014-26-6) is a chemical compound with molecular formula C14H20ClNO3 and molecular weight 285.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate
Also Known As: Sch 1300, methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate, methyl 5-chloro-2-(2-diethylaminoethyloxy)benzoate, BENZOIC ACID, 5-CHLORO-2-(2-(DIETHYLAMINO)ETHOXY)-, METHYL ESTER, 5-Chloro-2-(2-(diethylamino)ethoxy)benzoic acid methyl ester
| Molecular Formula | C14H20ClNO3 |
|---|---|
| Molecular Weight | 285.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 285.11316 |
| Heavy Atoms | 19 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 5014-26-6 |
|---|---|
| SMILES | CCN(CC)CCOC1=C(C=C(C=C1)Cl)C(=O)OC |
| InChIKey | NEJQTHUQLBEWPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester (CAS 5014-26-6), with molecular formula C14H20ClNO3 and molecular weight 285.11 g/mol. IUPAC: methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate.
Chemical Property Profile of Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester
Property Insights of Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester
The XLogP value of 4.2 indicates that Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester has 0 hydrogen bond donor(s) and 4 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 Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester?
The CAS number of Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester is 5014-26-6.
What is the molecular formula of Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester?
The molecular formula of Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester is C14H20ClNO3.
What is the molecular weight of Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester?
The molecular weight of Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester is 285.11 g/mol.
Where can I buy Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester?
You can request a quote for Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-chloro-2-(2-(diethylamino)ethoxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.