p-Hydroxyaniline mustard
TL;DR: p-Hydroxyaniline mustard (CAS 1204-69-9) is a chemical compound with molecular formula C10H13Cl2NO and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino]phenol
Also Known As: Hydroxyaniline mustard, 4-[bis(2-chloroethyl)amino]phenol, p-Hydroxyanilinlost, phenol mustard drug, p-Hydroxyaniline mustard
| Molecular Formula | C10H13Cl2NO |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.03741 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 1204-69-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCCl)CCCl)O |
| InChIKey | WRVLEDLJKOSANT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Hydroxyaniline mustard (CAS 1204-69-9), with molecular formula C10H13Cl2NO and molecular weight 233.04 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]phenol.
Chemical Property Profile of p-Hydroxyaniline mustard
Property Insights of p-Hydroxyaniline mustard
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Hydroxyaniline mustard. With a topological polar surface area (TPSA) of 23.5 Ų, p-Hydroxyaniline mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Hydroxyaniline mustard has 1 hydrogen bond donor(s) and 2 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 p-Hydroxyaniline mustard?
The CAS number of p-Hydroxyaniline mustard is 1204-69-9.
What is the molecular formula of p-Hydroxyaniline mustard?
The molecular formula of p-Hydroxyaniline mustard is C10H13Cl2NO.
What is the molecular weight of p-Hydroxyaniline mustard?
The molecular weight of p-Hydroxyaniline mustard is 233.04 g/mol.
Where can I buy p-Hydroxyaniline mustard?
You can request a quote for p-Hydroxyaniline mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Hydroxyaniline mustard?
Yes, KEHONG BIO provides custom synthesis services for p-Hydroxyaniline mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.