Hydroxyaniline mustard phosphate
TL;DR: Hydroxyaniline mustard phosphate (CAS 54378-43-7) is a chemical compound with molecular formula C10H14Cl2NO4P and molecular weight 313.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-chloroethyl)amino]phenyl] dihydrogen phosphate
Also Known As: Hydroxyaniline mustard phosphate, P-dichloroethylaminophenyl phosphate, p-Di-chloroethylaminophenyl phosphate, 4-[bis(2-chloroethyl)amino]phenyl dihydrogen phosphate, 4-(Bis(2-chloroethyl)amino)phenol dihydrogen phosphate
| Molecular Formula | C10H14Cl2NO4P |
|---|---|
| Molecular Weight | 313.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.00375 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 54378-43-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCCl)CCCl)OP(=O)(O)O |
| InChIKey | LJMDUALNSRAEPE-UHFFFAOYSA-N |
Product Overview
Hydroxyaniline mustard phosphate (CAS 54378-43-7), with molecular formula C10H14Cl2NO4P and molecular weight 313.00 g/mol. IUPAC: [4-[bis(2-chloroethyl)amino]phenyl] dihydrogen phosphate.
Chemical Property Profile of Hydroxyaniline mustard phosphate
Property Insights of Hydroxyaniline mustard phosphate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxyaniline mustard phosphate. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxyaniline mustard phosphate. Following Lipinski's Rule of Five, Hydroxyaniline mustard phosphate has 2 hydrogen bond donor(s) and 5 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 Hydroxyaniline mustard phosphate?
The CAS number of Hydroxyaniline mustard phosphate is 54378-43-7.
What is the molecular formula of Hydroxyaniline mustard phosphate?
The molecular formula of Hydroxyaniline mustard phosphate is C10H14Cl2NO4P.
What is the molecular weight of Hydroxyaniline mustard phosphate?
The molecular weight of Hydroxyaniline mustard phosphate is 313.00 g/mol.
Where can I buy Hydroxyaniline mustard phosphate?
You can request a quote for Hydroxyaniline mustard phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxyaniline mustard phosphate?
Yes, KEHONG BIO provides custom synthesis services for Hydroxyaniline mustard phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.