Phosphoric acid, mono(4-cyanophenyl) monomethyl ester
TL;DR: Phosphoric acid, mono(4-cyanophenyl) monomethyl ester (CAS 31328-16-2) is a chemical compound with molecular formula C8H8NO4P and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) methyl hydrogen phosphate
Also Known As: Desmethylcyanoxon, DEMETHYLCYANOXON, (4-cyanophenyl) methyl hydrogen phosphate, Phosphoric acid, mono(4-cyanophenyl) monomethyl ester, 4-Cyanophenyl methyl hydrogen phosphate
| Molecular Formula | C8H8NO4P |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 79.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.01909 |
| Heavy Atoms | 14 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 31328-16-2 |
|---|---|
| SMILES | COP(=O)(O)OC1=CC=C(C=C1)C#N |
| InChIKey | BQHATANCQFIKKJ-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, mono(4-cyanophenyl) monomethyl ester (CAS 31328-16-2), with molecular formula C8H8NO4P and molecular weight 213.02 g/mol. IUPAC: (4-cyanophenyl) methyl hydrogen phosphate.
Chemical Property Profile of Phosphoric acid, mono(4-cyanophenyl) monomethyl ester
Property Insights of Phosphoric acid, mono(4-cyanophenyl) monomethyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, mono(4-cyanophenyl) monomethyl ester. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, mono(4-cyanophenyl) monomethyl ester. Following Lipinski's Rule of Five, Phosphoric acid, mono(4-cyanophenyl) monomethyl ester has 1 hydrogen bond donor(s) and 5 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, mono(4-cyanophenyl) monomethyl ester?
The CAS number of Phosphoric acid, mono(4-cyanophenyl) monomethyl ester is 31328-16-2.
What is the molecular formula of Phosphoric acid, mono(4-cyanophenyl) monomethyl ester?
The molecular formula of Phosphoric acid, mono(4-cyanophenyl) monomethyl ester is C8H8NO4P.
What is the molecular weight of Phosphoric acid, mono(4-cyanophenyl) monomethyl ester?
The molecular weight of Phosphoric acid, mono(4-cyanophenyl) monomethyl ester is 213.02 g/mol.
Where can I buy Phosphoric acid, mono(4-cyanophenyl) monomethyl ester?
You can request a quote for Phosphoric acid, mono(4-cyanophenyl) monomethyl 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, mono(4-cyanophenyl) monomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, mono(4-cyanophenyl) monomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.