BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER
TL;DR: BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER (CAS 24830-50-0) is a chemical compound with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[bis(2-chloroethyl)amino]benzoate
Also Known As: methyl 3-[bis(2-chloroethyl)amino]benzoate, m-[Bis amino]benzoicacidmethylester, m-(Bis(2-chloroethyl)amino)benzoic acid methyl ester, BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER, 4-14-00-01098 (Beilstein Handbook Reference)
| Molecular Formula | C12H15Cl2NO2 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.04797 |
| Heavy Atoms | 17 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 24830-50-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)N(CCCl)CCCl |
| InChIKey | PTUQHLMPEYWOFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER (CAS 24830-50-0), with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol. IUPAC: methyl 3-[bis(2-chloroethyl)amino]benzoate.
Chemical Property Profile of BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER
Property Insights of BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER
The XLogP value of 3.1 indicates that BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL 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)-, METHYL ESTER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL 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)-, METHYL ESTER?
The CAS number of BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER is 24830-50-0.
What is the molecular formula of BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER?
The molecular formula of BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER is C12H15Cl2NO2.
What is the molecular weight of BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER?
The molecular weight of BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER is 275.05 g/mol.
Where can I buy BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER?
You can request a quote for BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, 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, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER?
Yes, KEHONG BIO provides custom synthesis services for BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.