苯胺半硫酸盐
TL;DR: 苯胺半硫酸盐 (CAS 542-16-5) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯胺半硫酸盐
aniline;sulfuric acid
Also Known As: ANILINE SULFATE, Aniline hemisulfate, Benzenamine, sulfate (2:1), aniline;sulfuric acid, Dianilinium sulphate
| Molecular Formula | C12H16N2O4S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 1.88 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.08307 |
| Heavy Atoms | 19 |
| Complexity | 127.0 |
| Density | 1.38 @25 °C |
Chemical Identifiers
| CAS Number | 542-16-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N.C1=CC=C(C=C1)N.OS(=O)(=O)O |
| InChIKey | FUKMEFZGEMVGLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯胺半硫酸盐 (CAS 542-16-5), with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol. IUPAC: aniline;sulfuric acid.
Chemical Property Profile of 苯胺半硫酸盐
Property Insights of 苯胺半硫酸盐
The XLogP value of 1.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯胺半硫酸盐. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯胺半硫酸盐. Following Lipinski's Rule of Five, 苯胺半硫酸盐 has 4 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 苯胺半硫酸盐?
The CAS number of 苯胺半硫酸盐 is 542-16-5.
What is the molecular formula of 苯胺半硫酸盐?
The molecular formula of 苯胺半硫酸盐 is C12H16N2O4S.
What is the molecular weight of 苯胺半硫酸盐?
The molecular weight of 苯胺半硫酸盐 is 284.08 g/mol.
Where can I buy 苯胺半硫酸盐?
You can request a quote for 苯胺半硫酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯胺半硫酸盐?
Yes, KEHONG BIO provides custom synthesis services for 苯胺半硫酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.