N-Boc-p-toluenesulfonamide
TL;DR: N-Boc-p-toluenesulfonamide (CAS 18303-04-3) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(4-methylphenyl)sulfonylcarbamate
Also Known As: tert-Butyl tosylcarbamate, N-(tert-Butoxycarbonyl)-p-toluenesulfonamide, N-Boc-p-toluenesulfonamide, N-Boc-4-tolylsulfonamide, N-Boc-4-toluenesulfonamide
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 18303-04-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC(C)(C)C |
| InChIKey | DUTLOVSBVBGNDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Boc-p-toluenesulfonamide (CAS 18303-04-3), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: tert-butyl N-(4-methylphenyl)sulfonylcarbamate.
Chemical Property Profile of N-Boc-p-toluenesulfonamide
Property Insights of N-Boc-p-toluenesulfonamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Boc-p-toluenesulfonamide. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Boc-p-toluenesulfonamide. Following Lipinski's Rule of Five, N-Boc-p-toluenesulfonamide 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 N-Boc-p-toluenesulfonamide?
The CAS number of N-Boc-p-toluenesulfonamide is 18303-04-3.
What is the molecular formula of N-Boc-p-toluenesulfonamide?
The molecular formula of N-Boc-p-toluenesulfonamide is C12H17NO4S.
What is the molecular weight of N-Boc-p-toluenesulfonamide?
The molecular weight of N-Boc-p-toluenesulfonamide is 271.09 g/mol.
Where can I buy N-Boc-p-toluenesulfonamide?
You can request a quote for N-Boc-p-toluenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Boc-p-toluenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-Boc-p-toluenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.