Bis(2-chloropropyl) 4-nitrophenyl phosphate
TL;DR: Bis(2-chloropropyl) 4-nitrophenyl phosphate (CAS 14663-72-0) is a chemical compound with molecular formula C12H16Cl2NO6P and molecular weight 371.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloropropyl) (4-nitrophenyl) phosphate
Also Known As: Bis(2-chloropropyl) p-nitrophenyl phosphate, bis(2-chloropropyl) (4-nitrophenyl) phosphate, bis(2-chloropropyl) 4-nitrophenyl phosphate, Phosphoric acid bis(2-chloropropyl)4-nitrophenyl ester, Phosphoric acid, bis(2-chloropropyl) p-nitrophenyl ester
| Molecular Formula | C12H16Cl2NO6P |
|---|---|
| Molecular Weight | 371.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.00922 |
| Heavy Atoms | 22 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 14663-72-0 |
|---|---|
| SMILES | CC(COP(=O)(OCC(C)Cl)OC1=CC=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | LUKRJGLWDCRJHZ-UHFFFAOYSA-N |
Product Overview
Bis(2-chloropropyl) 4-nitrophenyl phosphate (CAS 14663-72-0), with molecular formula C12H16Cl2NO6P and molecular weight 371.01 g/mol. IUPAC: bis(2-chloropropyl) (4-nitrophenyl) phosphate.
Chemical Property Profile of Bis(2-chloropropyl) 4-nitrophenyl phosphate
Property Insights of Bis(2-chloropropyl) 4-nitrophenyl phosphate
The XLogP value of 3.3 indicates that Bis(2-chloropropyl) 4-nitrophenyl phosphate 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 Bis(2-chloropropyl) 4-nitrophenyl phosphate. Following Lipinski's Rule of Five, Bis(2-chloropropyl) 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 Bis(2-chloropropyl) 4-nitrophenyl phosphate?
The CAS number of Bis(2-chloropropyl) 4-nitrophenyl phosphate is 14663-72-0.
What is the molecular formula of Bis(2-chloropropyl) 4-nitrophenyl phosphate?
The molecular formula of Bis(2-chloropropyl) 4-nitrophenyl phosphate is C12H16Cl2NO6P.
What is the molecular weight of Bis(2-chloropropyl) 4-nitrophenyl phosphate?
The molecular weight of Bis(2-chloropropyl) 4-nitrophenyl phosphate is 371.01 g/mol.
Where can I buy Bis(2-chloropropyl) 4-nitrophenyl phosphate?
You can request a quote for Bis(2-chloropropyl) 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 Bis(2-chloropropyl) 4-nitrophenyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloropropyl) 4-nitrophenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.