Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester
TL;DR: Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester (CAS 731-04-4) is a chemical compound with molecular formula C10H13ClNO6P and molecular weight 309.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl ethyl (4-nitrophenyl) phosphate
Also Known As: H.C. 8042 Bis, 2-Chloroethyl ethyl p-nitrophenyl phosphate, 2-chloroethyl ethyl (4-nitrophenyl) phosphate, 2-CHLOROETHYL ETHYL 4-NITROPHENYL PHOSPHATE, Phosphoric acid, 2-chloroethyl ethyl p-nitrophenyl ester
| Molecular Formula | C10H13ClNO6P |
|---|---|
| Molecular Weight | 309.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.0169 |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 731-04-4 |
|---|---|
| SMILES | CCOP(=O)(OCCCl)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | ODBQBWQEBSSZER-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester (CAS 731-04-4), with molecular formula C10H13ClNO6P and molecular weight 309.02 g/mol. IUPAC: 2-chloroethyl ethyl (4-nitrophenyl) phosphate.
Chemical Property Profile of Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester
Property Insights of Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester. Following Lipinski's Rule of Five, Phosphoric acid, 2-chloroethyl ethyl 4-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, 2-chloroethyl ethyl 4-nitrophenyl ester?
The CAS number of Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester is 731-04-4.
What is the molecular formula of Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester?
The molecular formula of Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester is C10H13ClNO6P.
What is the molecular weight of Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester?
The molecular weight of Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester is 309.02 g/mol.
Where can I buy Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester?
You can request a quote for Phosphoric acid, 2-chloroethyl ethyl 4-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, 2-chloroethyl ethyl 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.