Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester
TL;DR: Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester (CAS 64050-55-1) is a chemical compound with molecular formula C13H16NO8P and molecular weight 345.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 2-dimethoxyphosphoryloxybut-3-enoate
Also Known As: Shell SD-5533, ENT 25,577, Dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl phosphate, 4-nitrobenzyl 2-[(dimethoxyphosphoryl)oxy]but-3-enoate, Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester
| Molecular Formula | C13H16NO8P |
|---|---|
| Molecular Weight | 345.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 345.06134 |
| Heavy Atoms | 23 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 64050-55-1 |
|---|---|
| SMILES | COP(=O)(OC)OC(C=C)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | IBDLPCGZPBEDPH-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester (CAS 64050-55-1), with molecular formula C13H16NO8P and molecular weight 345.06 g/mol. IUPAC: (4-nitrophenyl)methyl 2-dimethoxyphosphoryloxybut-3-enoate.
Chemical Property Profile of Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester
Property Insights of Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester. Following Lipinski's Rule of Five, Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester has 0 hydrogen bond donor(s) and 8 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, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester?
The CAS number of Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester is 64050-55-1.
What is the molecular formula of Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester?
The molecular formula of Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester is C13H16NO8P.
What is the molecular weight of Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester?
The molecular weight of Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester is 345.06 g/mol.
Where can I buy Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester?
You can request a quote for Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl 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, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, dimethyl 1-(p-nitrobenzyloxycarbonyl)-1-propen-2-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.