Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester
TL;DR: Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester (CAS 76464-79-4) is a chemical compound with molecular formula C17H26Cl2N2O2 and molecular weight 360.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-[bis(2-chloroethyl)amino]benzoate
Also Known As: BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, 2-(DIETHYLAMINO)ETHYL ESTER, m-(Bis(2-chloroethyl)amino)benzoic acid 2-(diethylamino)ethyl ester, 2-diethylaminoethyl 2-[bis(2-chloroethyl)amino]benzoate, 2-(diethylamino)ethyl 2-[bis(2-chloroethyl)amino]benzoate, RefChem:327721
| Molecular Formula | C17H26Cl2N2O2 |
|---|---|
| Molecular Weight | 360.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 360.13715 |
| Heavy Atoms | 23 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 76464-79-4 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=CC=C1N(CCCl)CCCl |
| InChIKey | FNBAPWOLPLMSLI-UHFFFAOYSA-N |
Product Overview
Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester (CAS 76464-79-4), with molecular formula C17H26Cl2N2O2 and molecular weight 360.14 g/mol. IUPAC: 2-(diethylamino)ethyl 2-[bis(2-chloroethyl)amino]benzoate.
Chemical Property Profile of Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester
Property Insights of Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester
The XLogP value of 3.8 indicates that Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl 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, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester?
The CAS number of Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester is 76464-79-4.
What is the molecular formula of Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester?
The molecular formula of Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester is C17H26Cl2N2O2.
What is the molecular weight of Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester?
The molecular weight of Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester is 360.14 g/mol.
Where can I buy Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester?
You can request a quote for Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl 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, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.