Desmethylsumioxon
TL;DR: Desmethylsumioxon (CAS 1970-82-7) is a chemical compound with molecular formula C8H10NO6P and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3-methyl-4-nitrophenyl) hydrogen phosphate
Also Known As: Desmethylsumioxon, Demethyl sumioxon, Demethylfenitrooxon, Desmethylsumioxin, Desmethylfenitrooxon
| Molecular Formula | C8H10NO6P |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.02457 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 1970-82-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OP(=O)(O)OC)[N+](=O)[O-] |
| InChIKey | PFGNIZHUAOEYKD-UHFFFAOYSA-N |
Product Overview
Desmethylsumioxon (CAS 1970-82-7), with molecular formula C8H10NO6P and molecular weight 247.02 g/mol. IUPAC: methyl (3-methyl-4-nitrophenyl) hydrogen phosphate.
Chemical Property Profile of Desmethylsumioxon
Property Insights of Desmethylsumioxon
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desmethylsumioxon. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmethylsumioxon. Following Lipinski's Rule of Five, Desmethylsumioxon has 1 hydrogen bond donor(s) and 6 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 Desmethylsumioxon?
The CAS number of Desmethylsumioxon is 1970-82-7.
What is the molecular formula of Desmethylsumioxon?
The molecular formula of Desmethylsumioxon is C8H10NO6P.
What is the molecular weight of Desmethylsumioxon?
The molecular weight of Desmethylsumioxon is 247.02 g/mol.
Where can I buy Desmethylsumioxon?
You can request a quote for Desmethylsumioxon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethylsumioxon?
Yes, KEHONG BIO provides custom synthesis services for Desmethylsumioxon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.