dichloromethyl O,O-di-(4-nitrophenyl) phosphonate
TL;DR: dichloromethyl O,O-di-(4-nitrophenyl) phosphonate (CAS 40911-41-9) is a chemical compound with molecular formula C13H9Cl2N2O7P and molecular weight 405.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[dichloromethyl-(4-nitrophenoxy)phosphoryl]oxy-4-nitrobenzene
Also Known As: 16beta-Hydroxynorgestrel, Dichloromethyl O,O-di-(4-nitrophenyl) phosphonate, Dichloromethyl O,O-di-(p-nitrophenyl)phosphonate, Bis(4-nitrophenyl) (dichloromethyl)phosphonate, 1-[dichloromethyl-(4-nitrophenoxy)phosphoryl]oxy-4-nitrobenzene
| Molecular Formula | C13H9Cl2N2O7P |
|---|---|
| Molecular Weight | 405.95 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.95245 |
| Heavy Atoms | 25 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 40911-41-9 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(C(Cl)Cl)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | RSSWEUBIHKBNQG-UHFFFAOYSA-N |
Product Overview
dichloromethyl O,O-di-(4-nitrophenyl) phosphonate (CAS 40911-41-9), with molecular formula C13H9Cl2N2O7P and molecular weight 405.95 g/mol. IUPAC: 1-[dichloromethyl-(4-nitrophenoxy)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of dichloromethyl O,O-di-(4-nitrophenyl) phosphonate
Property Insights of dichloromethyl O,O-di-(4-nitrophenyl) phosphonate
The XLogP value of 4.2 indicates that dichloromethyl O,O-di-(4-nitrophenyl) phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dichloromethyl O,O-di-(4-nitrophenyl) phosphonate. Following Lipinski's Rule of Five, dichloromethyl O,O-di-(4-nitrophenyl) phosphonate has 0 hydrogen bond donor(s) and 7 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 dichloromethyl O,O-di-(4-nitrophenyl) phosphonate?
The CAS number of dichloromethyl O,O-di-(4-nitrophenyl) phosphonate is 40911-41-9.
What is the molecular formula of dichloromethyl O,O-di-(4-nitrophenyl) phosphonate?
The molecular formula of dichloromethyl O,O-di-(4-nitrophenyl) phosphonate is C13H9Cl2N2O7P.
What is the molecular weight of dichloromethyl O,O-di-(4-nitrophenyl) phosphonate?
The molecular weight of dichloromethyl O,O-di-(4-nitrophenyl) phosphonate is 405.95 g/mol.
Where can I buy dichloromethyl O,O-di-(4-nitrophenyl) phosphonate?
You can request a quote for dichloromethyl O,O-di-(4-nitrophenyl) phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dichloromethyl O,O-di-(4-nitrophenyl) phosphonate?
Yes, KEHONG BIO provides custom synthesis services for dichloromethyl O,O-di-(4-nitrophenyl) phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.