p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate
TL;DR: p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate (CAS 94232-04-9) is a chemical compound with molecular formula C13H12N2O6S and molecular weight 324.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 3-amino-4-methoxybenzenesulfonate
Also Known As: EINECS 303-928-7, p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate, p-nitrophenyl3-amino-4-methoxybenzenesulphonate, 4-nitrophenyl 3-amino-4-methoxybenzene-1-sulfonate, (4-nitrophenyl) 3-amino-4-methoxybenzenesulfonate
| Molecular Formula | C13H12N2O6S |
|---|---|
| Molecular Weight | 324.04 g/mol |
| LogP | 1.9533 |
| Topological Polar Surface Area | 121.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.0416 |
| Heavy Atoms | 22 |
| Complexity | 801.7801 |
Chemical Identifiers
| CAS Number | 94232-04-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N |
Product Overview
p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate (CAS 94232-04-9), with molecular formula C13H12N2O6S and molecular weight 324.04 g/mol. IUPAC: (4-nitrophenyl) 3-amino-4-methoxybenzenesulfonate.
Chemical Property Profile of p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate
Property Insights of p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate
The XLogP value of 1.9533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate. The TPSA of 121.76 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate. Following Lipinski's Rule of Five, p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate has 1 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 p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate?
The CAS number of p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate is 94232-04-9.
What is the molecular formula of p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate?
The molecular formula of p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate is C13H12N2O6S.
What is the molecular weight of p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate?
The molecular weight of p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate is 324.04 g/mol.
Where can I buy p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate?
You can request a quote for p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.