Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester
TL;DR: Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester (CAS 311-44-4) is a chemical compound with molecular formula C10H12Cl2NO6P and molecular weight 342.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl) (4-nitrophenyl) phosphate
Also Known As: Nitrophenylhalon, 2-Chloroethyl paraoxon, PE 304, 110H60, Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester
| Molecular Formula | C10H12Cl2NO6P |
|---|---|
| Molecular Weight | 342.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.97794 |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 311-44-4 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OCCCl)OCCCl |
| InChIKey | IDERFWIIXARCJS-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester (CAS 311-44-4), with molecular formula C10H12Cl2NO6P and molecular weight 342.98 g/mol. IUPAC: bis(2-chloroethyl) (4-nitrophenyl) phosphate.
Chemical Property Profile of Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester
Property Insights of Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester. Following Lipinski's Rule of Five, Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester has 0 hydrogen bond donor(s) and 6 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 Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester?
The CAS number of Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester is 311-44-4.
What is the molecular formula of Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester?
The molecular formula of Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester is C10H12Cl2NO6P.
What is the molecular weight of Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester?
The molecular weight of Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester is 342.98 g/mol.
Where can I buy Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester?
You can request a quote for Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, bis(2-chloroethyl) p-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.