4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate
TL;DR: 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate (CAS 117525-86-7) is a chemical compound with molecular formula C13H12N3O8PS and molecular weight 401.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]phenyl] dihydrogen phosphate
Also Known As: 4-Nmpp, 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate, 4-(4/'-nitro-2/'-methylsulfonylphenylazo)phenyl phosphate, [4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]phenyl] dihydrogen phosphate, 4-{(e)-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl}phenyl dihydrogen phosphate
| Molecular Formula | C13H12N3O8PS |
|---|---|
| Molecular Weight | 401.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.00827 |
| Heavy Atoms | 26 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 117525-86-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=CC=C(C=C2)OP(=O)(O)O |
| InChIKey | PTCBIOYEYIKDAH-UHFFFAOYSA-N |
Product Overview
4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate (CAS 117525-86-7), with molecular formula C13H12N3O8PS and molecular weight 401.01 g/mol. IUPAC: [4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]phenyl] dihydrogen phosphate.
Chemical Property Profile of 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate
Property Insights of 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate. The TPSA of 180.0 Ų indicates high polarity, suggesting 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate has 2 hydrogen bond donor(s) and 10 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 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate?
The CAS number of 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate is 117525-86-7.
What is the molecular formula of 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate?
The molecular formula of 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate is C13H12N3O8PS.
What is the molecular weight of 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate?
The molecular weight of 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate is 401.01 g/mol.
Where can I buy 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate?
You can request a quote for 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4'-Nitro-2'-methylsulfonylphenylazo)phenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.