氨苯砜
TL;DR: 氨苯砜 (CAS 80-08-0) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨苯砜
4-(4-aminophenyl)sulfonylaniline
Also Known As: dapsone, Diaphenylsulfone, Dapson, 4,4'-Sulfonyldianiline, Diphenasone
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
| Melting Point | 347 to 176.1 °C |
| Density | 1.33 at 25.0 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | greater than 160.0 °C |
| Vapor Pressure | 0.00000003 [mmHg] |
Chemical Identifiers
| CAS Number | 80-08-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N |
| InChIKey | MQJKPEGWNLWLTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氨苯砜 (CAS 80-08-0), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 4-(4-aminophenyl)sulfonylaniline.
Chemical Property Profile of 氨苯砜
Property Insights of 氨苯砜
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氨苯砜. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 氨苯砜. Following Lipinski's Rule of Five, 氨苯砜 has 2 hydrogen bond donor(s) and 4 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 氨苯砜?
The CAS number of 氨苯砜 is 80-08-0.
What is the molecular formula of 氨苯砜?
The molecular formula of 氨苯砜 is C12H12N2O2S.
What is the molecular weight of 氨苯砜?
The molecular weight of 氨苯砜 is 248.06 g/mol.
Where can I buy 氨苯砜?
You can request a quote for 氨苯砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨苯砜?
Yes, KEHONG BIO provides custom synthesis services for 氨苯砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.