Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo-
TL;DR: Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo- (CAS 58278-34-5) is a chemical compound with molecular formula C11H12BrCl2NO2 and molecular weight 338.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)amino]-4-bromobenzoic acid
Also Known As: 3-(Bis(2-chloroethyl)amino)-4-bromobenzoic acid, BENZOIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-4-BROMO-, 3-[bis(2-chloroethyl)amino]-4-bromobenzoic acid, BRN 2989537, RefChem:327157
| Molecular Formula | C11H12BrCl2NO2 |
|---|---|
| Molecular Weight | 338.94 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.94284 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 58278-34-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)N(CCCl)CCCl)Br |
| InChIKey | DDNIKTXDMMWOHF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo- (CAS 58278-34-5), with molecular formula C11H12BrCl2NO2 and molecular weight 338.94 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]-4-bromobenzoic acid.
Chemical Property Profile of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo-
Property Insights of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo-
The XLogP value of 3.4 indicates that Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo- has 1 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, 3-(bis(2-chloroethyl)amino)-4-bromo-?
The CAS number of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo- is 58278-34-5.
What is the molecular formula of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo-?
The molecular formula of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo- is C11H12BrCl2NO2.
What is the molecular weight of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo-?
The molecular weight of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo- is 338.94 g/mol.
Where can I buy Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo-?
You can request a quote for Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.