4-甲磺酰基-N-苯基苯胺
TL;DR: 4-甲磺酰基-N-苯基苯胺 (CAS 15979-81-4) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲磺酰基-N-苯基苯胺
4-methylsulfonyl-N-phenylaniline
Also Known As: 4-METHYLSULFONYL-N-PHENYLBENZENAMINE, 4-methylsulfonyl-N-phenylaniline, 4-(Methanesulfonyl)-N-phenylaniline, 4-METHANESULFONYL-N-PHENYLANILINE, J1.557.032F
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 15979-81-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)NC2=CC=CC=C2 |
| InChIKey | BKQHFWRWUNOUCR-UHFFFAOYSA-N |
Product Overview
4-甲磺酰基-N-苯基苯胺 (CAS 15979-81-4), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 4-methylsulfonyl-N-phenylaniline.
Chemical Property Profile of 4-甲磺酰基-N-苯基苯胺
Property Insights of 4-甲磺酰基-N-苯基苯胺
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲磺酰基-N-苯基苯胺. With a topological polar surface area (TPSA) of 54.6 Ų, 4-甲磺酰基-N-苯基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲磺酰基-N-苯基苯胺 has 1 hydrogen bond donor(s) and 3 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-甲磺酰基-N-苯基苯胺?
The CAS number of 4-甲磺酰基-N-苯基苯胺 is 15979-81-4.
What is the molecular formula of 4-甲磺酰基-N-苯基苯胺?
The molecular formula of 4-甲磺酰基-N-苯基苯胺 is C13H13NO2S.
What is the molecular weight of 4-甲磺酰基-N-苯基苯胺?
The molecular weight of 4-甲磺酰基-N-苯基苯胺 is 247.07 g/mol.
Where can I buy 4-甲磺酰基-N-苯基苯胺?
You can request a quote for 4-甲磺酰基-N-苯基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲磺酰基-N-苯基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 4-甲磺酰基-N-苯基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.