Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester
TL;DR: Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester (CAS 736-96-9) is a chemical compound with molecular formula C12H17ClNO6P and molecular weight 337.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-chloroethyl (4-nitrophenyl) phosphate
Also Known As: Butyl 2-chloroethyl p-nitrophenyl phosphate, butyl 2-chloroethyl 4-nitrophenyl phosphate, H.C. 8072, butyl 2-chloroethyl (4-nitrophenyl) phosphate, Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester
| Molecular Formula | C12H17ClNO6P |
|---|---|
| Molecular Weight | 337.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 337.0482 |
| Heavy Atoms | 21 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 736-96-9 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCl)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | DYZYXMBAUSBQLC-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester (CAS 736-96-9), with molecular formula C12H17ClNO6P and molecular weight 337.05 g/mol. IUPAC: butyl 2-chloroethyl (4-nitrophenyl) phosphate.
Chemical Property Profile of Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester
Property Insights of Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester
The XLogP value of 3.1 indicates that Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester. Following Lipinski's Rule of Five, Phosphoric acid, butyl 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, butyl 2-chloroethyl p-nitrophenyl ester?
The CAS number of Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester is 736-96-9.
What is the molecular formula of Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester?
The molecular formula of Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester is C12H17ClNO6P.
What is the molecular weight of Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester?
The molecular weight of Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester is 337.05 g/mol.
Where can I buy Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester?
You can request a quote for Phosphoric acid, butyl 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, butyl 2-chloroethyl p-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, butyl 2-chloroethyl p-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.