Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl-
TL;DR: Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl- (CAS 24830-45-3) is a chemical compound with molecular formula C13H17Cl2NO2 and molecular weight 289.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)amino]-2,4-dimethylbenzoic acid
Also Known As: 3-(Bis(2-chloroethyl)amino)-2,4-dimethylbenzoic acid, 3-[bis(2-chloroethyl)amino]-2,4-dimethylbenzoic acid, 3-[Bis amino]-2,4-dimethylbenzoicacid, BENZOIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-2,4-DIMETHYL-, BRN 2746445
| Molecular Formula | C13H17Cl2NO2 |
|---|---|
| Molecular Weight | 289.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.06363 |
| Heavy Atoms | 18 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 24830-45-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(=O)O)C)N(CCCl)CCCl |
| InChIKey | HRDXLCGXZZRIQG-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl- (CAS 24830-45-3), with molecular formula C13H17Cl2NO2 and molecular weight 289.06 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]-2,4-dimethylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl-
Property Insights of Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl-
The XLogP value of 3.5 indicates that Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl- 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)-2,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl- 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)-2,4-dimethyl-?
The CAS number of Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl- is 24830-45-3.
What is the molecular formula of Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl-?
The molecular formula of Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl- is C13H17Cl2NO2.
What is the molecular weight of Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl-?
The molecular weight of Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl- is 289.06 g/mol.
Where can I buy Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl-?
You can request a quote for Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl- 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)-2,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.