2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate
TL;DR: 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate (CAS 734-13-4) is a chemical compound with molecular formula C11H15ClNO6P and molecular weight 323.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl ethyl (2-methyl-4-nitrophenyl) phosphate
Also Known As: 2-Chloroethyl isopropyl p-nitrophenyl phosphate, 2-chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate, Phosphoric acid, 2-chloroethyl isopropyl p-nitrophenyl ester, 2-chloroethyl ethyl (2-methyl-4-nitrophenyl) phosphate, RefChem:1062854
| Molecular Formula | C11H15ClNO6P |
|---|---|
| Molecular Weight | 323.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.03256 |
| Heavy Atoms | 20 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 734-13-4 |
|---|---|
| SMILES | CCOP(=O)(OCCCl)OC1=C(C=C(C=C1)[N+](=O)[O-])C |
| InChIKey | LTBPUSPYDJQECT-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate (CAS 734-13-4), with molecular formula C11H15ClNO6P and molecular weight 323.03 g/mol. IUPAC: 2-chloroethyl ethyl (2-methyl-4-nitrophenyl) phosphate.
Chemical Property Profile of 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate
Property Insights of 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate. Following Lipinski's Rule of Five, 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate 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 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate?
The CAS number of 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate is 734-13-4.
What is the molecular formula of 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate?
The molecular formula of 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate is C11H15ClNO6P.
What is the molecular weight of 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate?
The molecular weight of 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate is 323.03 g/mol.
Where can I buy 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate?
You can request a quote for 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.