5-Benzylsulphonyl-o-anisidine
TL;DR: 5-Benzylsulphonyl-o-anisidine (CAS 2815-50-1) is a chemical compound with molecular formula C14H15NO3S and molecular weight 277.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfonyl-2-methoxyaniline
Also Known As: 5-Benzylsulphonyl-o-anisidine, 5-benzylsulfonyl-2-methoxyaniline, 5-Benzylsulfonyl-2-methoxy-aniline, Azoic DC 31(base), 2-Methoxy-5-phenylmethanesulfonyl-phenylamine
| Molecular Formula | C14H15NO3S |
|---|---|
| Molecular Weight | 277.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.07727 |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 2815-50-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)N |
| InChIKey | XTTHAADPPZNOBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzylsulphonyl-o-anisidine (CAS 2815-50-1), with molecular formula C14H15NO3S and molecular weight 277.08 g/mol. IUPAC: 5-benzylsulfonyl-2-methoxyaniline.
Chemical Property Profile of 5-Benzylsulphonyl-o-anisidine
Property Insights of 5-Benzylsulphonyl-o-anisidine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylsulphonyl-o-anisidine. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzylsulphonyl-o-anisidine. Following Lipinski's Rule of Five, 5-Benzylsulphonyl-o-anisidine has 1 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 5-Benzylsulphonyl-o-anisidine?
The CAS number of 5-Benzylsulphonyl-o-anisidine is 2815-50-1.
What is the molecular formula of 5-Benzylsulphonyl-o-anisidine?
The molecular formula of 5-Benzylsulphonyl-o-anisidine is C14H15NO3S.
What is the molecular weight of 5-Benzylsulphonyl-o-anisidine?
The molecular weight of 5-Benzylsulphonyl-o-anisidine is 277.08 g/mol.
Where can I buy 5-Benzylsulphonyl-o-anisidine?
You can request a quote for 5-Benzylsulphonyl-o-anisidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylsulphonyl-o-anisidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylsulphonyl-o-anisidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.