![4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid structure](/static/products/935/93507-12-1.png)
4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid
TL;DR: 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid (CAS 93507-12-1) is a chemical compound with molecular formula C11H13Cl2NO3 and molecular weight 277.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino]-2-hydroxybenzoic acid
Also Known As: NCIOpen2_003065, 5-Chlor-4-acetamino-m-xylol, 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoic acid, 4-(Bis-(2-chlorethyl)-amino)-salicylsaeure
| Molecular Formula | C11H13Cl2NO3 |
|---|---|
| Molecular Weight | 277.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.02725 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 93507-12-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1N(CCCl)CCCl)O)C(=O)O |
| InChIKey | RCJBFPZMYFVFSW-UHFFFAOYSA-N |
Product Overview
4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid (CAS 93507-12-1), with molecular formula C11H13Cl2NO3 and molecular weight 277.03 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoic acid.
Chemical Property Profile of 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid
Property Insights of 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid
The XLogP value of 3.3 indicates that 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid. Following Lipinski's Rule of Five, 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid has 2 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 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid?
The CAS number of 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid is 93507-12-1.
What is the molecular formula of 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid?
The molecular formula of 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid is C11H13Cl2NO3.
What is the molecular weight of 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid?
The molecular weight of 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid is 277.03 g/mol.
Where can I buy 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid?
You can request a quote for 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[Bis(2-chloroethyl)amino]-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.