(4-硝基苯氨基)甲磺酸
TL;DR: (4-硝基苯氨基)甲磺酸 (CAS 81251-72-1) is a chemical compound with molecular formula C7H8N2O5S and molecular weight 232.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-硝基苯氨基)甲磺酸
(4-nitroanilino)methanesulfonic acid
Also Known As: (4-nitroanilino)methanesulfonic acid
| Molecular Formula | C7H8N2O5S |
|---|---|
| Molecular Weight | 232.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0154 |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 81251-72-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NCS(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | IURDXOSPFRUATL-UHFFFAOYSA-N |
Product Overview
(4-硝基苯氨基)甲磺酸 (CAS 81251-72-1), with molecular formula C7H8N2O5S and molecular weight 232.02 g/mol. IUPAC: (4-nitroanilino)methanesulfonic acid.
Chemical Property Profile of (4-硝基苯氨基)甲磺酸
Property Insights of (4-硝基苯氨基)甲磺酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-硝基苯氨基)甲磺酸. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-硝基苯氨基)甲磺酸. Following Lipinski's Rule of Five, (4-硝基苯氨基)甲磺酸 has 2 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 (4-硝基苯氨基)甲磺酸?
The CAS number of (4-硝基苯氨基)甲磺酸 is 81251-72-1.
What is the molecular formula of (4-硝基苯氨基)甲磺酸?
The molecular formula of (4-硝基苯氨基)甲磺酸 is C7H8N2O5S.
What is the molecular weight of (4-硝基苯氨基)甲磺酸?
The molecular weight of (4-硝基苯氨基)甲磺酸 is 232.02 g/mol.
Where can I buy (4-硝基苯氨基)甲磺酸?
You can request a quote for (4-硝基苯氨基)甲磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-硝基苯氨基)甲磺酸?
Yes, KEHONG BIO provides custom synthesis services for (4-硝基苯氨基)甲磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.