Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester
TL;DR: Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester (CAS 24813-10-3) is a chemical compound with molecular formula C14H19Cl2NO2 and molecular weight 303.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-[bis(2-chloroethyl)amino]benzoate
Also Known As: m-(Bis(2-chloroethyl)amino)benzoic acid isopropyl ester, propan-2-yl 3-[bis(2-chloroethyl)amino]benzoate, BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, ISOPROPYL ESTER, m-[Bis(2-chloroethyl)amino]benzoic acid isopropyl ester, BRN 2747841
| Molecular Formula | C14H19Cl2NO2 |
|---|---|
| Molecular Weight | 303.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 303.07928 |
| Heavy Atoms | 19 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 24813-10-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=CC=C1)N(CCCl)CCCl |
| InChIKey | XOIHXTHJKDKFSV-UHFFFAOYSA-N |
Product Overview
Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester (CAS 24813-10-3), with molecular formula C14H19Cl2NO2 and molecular weight 303.08 g/mol. IUPAC: propan-2-yl 3-[bis(2-chloroethyl)amino]benzoate.
Chemical Property Profile of Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester
Property Insights of Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester
The XLogP value of 3.9 indicates that Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester 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 Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester?
The CAS number of Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester is 24813-10-3.
What is the molecular formula of Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester?
The molecular formula of Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester is C14H19Cl2NO2.
What is the molecular weight of Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester?
The molecular weight of Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester is 303.08 g/mol.
Where can I buy Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester?
You can request a quote for Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl 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)-, isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, m-(bis(2-chloroethyl)amino)-, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.