Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester
TL;DR: Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester (CAS 72900-79-9) is a chemical compound with molecular formula C6H9N4O5P and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-dimethoxyphosphoryl-5-nitropyrimidin-4-amine
Also Known As: 5-25-18-00377 (Beilstein Handbook Reference), Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester, (6-Amino-5-nitro-4-pyrimidinyl)phosphonic acid dimethyl ester, 6-dimethoxyphosphoryl-5-nitropyrimidin-4-amine, Dimethyl (6-amino-5-nitropyrimidin-4-yl)phosphonate
| Molecular Formula | C6H9N4O5P |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 0.0782 |
| Topological Polar Surface Area | 130.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.03105 |
| Heavy Atoms | 16 |
| Complexity | 456.23215 |
Chemical Identifiers
| CAS Number | 72900-79-9 |
|---|---|
| SMILES | COP(=O)(C1=NC=NC(=C1[N+](=O)[O-])N)OC |
Product Overview
Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester (CAS 72900-79-9), with molecular formula C6H9N4O5P and molecular weight 248.03 g/mol. IUPAC: 6-dimethoxyphosphoryl-5-nitropyrimidin-4-amine.
Chemical Property Profile of Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester
Property Insights of Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester
The XLogP value of 0.0782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester. The TPSA of 130.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester. Following Lipinski's Rule of Five, Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester has 1 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 Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester?
The CAS number of Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester is 72900-79-9.
What is the molecular formula of Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester?
The molecular formula of Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester is C6H9N4O5P.
What is the molecular weight of Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester?
The molecular weight of Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester is 248.03 g/mol.
Where can I buy Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester?
You can request a quote for Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (6-amino-5-nitro-4-pyrimidinyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.