2-(Diethylamino)ethyl 3-chlorobenzoate
TL;DR: 2-(Diethylamino)ethyl 3-chlorobenzoate (CAS 10367-86-9) is a chemical compound with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 3-chlorobenzoate
Also Known As: 2-(Diethylamino)ethyl 3-chlorobenzoate, 2-diethylaminoethyl 3-chlorobenzoate, 2-(Diethylamino)ethyl 3-chlorobenzoate #, BAS 00450821, 3-Chlorobenzoic acid, 2-diethylaminoethyl ester
| Molecular Formula | C13H18ClNO2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.1026 |
| Heavy Atoms | 17 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 10367-86-9 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC(=CC=C1)Cl |
| InChIKey | BWTWXNBEZDZJCL-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 3-chlorobenzoate (CAS 10367-86-9), with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol. IUPAC: 2-(diethylamino)ethyl 3-chlorobenzoate.
Chemical Property Profile of 2-(Diethylamino)ethyl 3-chlorobenzoate
Property Insights of 2-(Diethylamino)ethyl 3-chlorobenzoate
The XLogP value of 3.2 indicates that 2-(Diethylamino)ethyl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-(Diethylamino)ethyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 3-chlorobenzoate has 0 hydrogen bond donor(s) and 3 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-(Diethylamino)ethyl 3-chlorobenzoate?
The CAS number of 2-(Diethylamino)ethyl 3-chlorobenzoate is 10367-86-9.
What is the molecular formula of 2-(Diethylamino)ethyl 3-chlorobenzoate?
The molecular formula of 2-(Diethylamino)ethyl 3-chlorobenzoate is C13H18ClNO2.
What is the molecular weight of 2-(Diethylamino)ethyl 3-chlorobenzoate?
The molecular weight of 2-(Diethylamino)ethyl 3-chlorobenzoate is 255.10 g/mol.
Where can I buy 2-(Diethylamino)ethyl 3-chlorobenzoate?
You can request a quote for 2-(Diethylamino)ethyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.