Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester
TL;DR: Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester (CAS 72900-86-8) is a chemical compound with molecular formula C6H7ClN3O5P and molecular weight 266.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-dimethoxyphosphoryl-5-nitropyrimidine
Also Known As: 5-25-18-00358 (Beilstein Handbook Reference), Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester, 2-chloro-4-dimethoxyphosphoryl-5-nitropyrimidine, (2-Chloro-5-nitro-4-pyrimidinyl)phosphonic acid dimethyl ester, Dimethyl (2-chloro-5-nitropyrimidin-4-yl)phosphonate
| Molecular Formula | C6H7ClN3O5P |
|---|---|
| Molecular Weight | 266.98 g/mol |
| LogP | 1.1494 |
| Topological Polar Surface Area | 104.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.98117 |
| Heavy Atoms | 16 |
| Complexity | 459.47726 |
Chemical Identifiers
| CAS Number | 72900-86-8 |
|---|---|
| SMILES | COP(=O)(C1=NC(=NC=C1[N+](=O)[O-])Cl)OC |
Product Overview
Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester (CAS 72900-86-8), with molecular formula C6H7ClN3O5P and molecular weight 266.98 g/mol. IUPAC: 2-chloro-4-dimethoxyphosphoryl-5-nitropyrimidine.
Chemical Property Profile of Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester
Property Insights of Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester
The XLogP value of 1.1494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester. The TPSA of 104.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester. Following Lipinski's Rule of Five, Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester 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 Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester?
The CAS number of Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester is 72900-86-8.
What is the molecular formula of Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester?
The molecular formula of Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester is C6H7ClN3O5P.
What is the molecular weight of Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester?
The molecular weight of Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester is 266.98 g/mol.
Where can I buy Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester?
You can request a quote for Phosphonic acid, (2-chloro-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, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (2-chloro-5-nitro-4-pyrimidinyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.