3-(Benzylsulfonyl)propanamide
TL;DR: 3-(Benzylsulfonyl)propanamide (CAS 112982-07-7) is a chemical compound with molecular formula C10H13NO3S and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfonylpropanamide
Also Known As: 3-benzylsulfonylpropanamide, 3-benzylsulfonylpropionamide, 3-(Benzylsulfonyl)propanamide, 3-PHENYLMETHANESULFONYLPROPANAMIDE
| Molecular Formula | C10H13NO3S |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.06161 |
| Heavy Atoms | 15 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 112982-07-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N |
| InChIKey | BMBCBBLMHJNKQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Benzylsulfonyl)propanamide (CAS 112982-07-7), with molecular formula C10H13NO3S and molecular weight 227.06 g/mol. IUPAC: 3-benzylsulfonylpropanamide.
Chemical Property Profile of 3-(Benzylsulfonyl)propanamide
Property Insights of 3-(Benzylsulfonyl)propanamide
The XLogP value of -0.1 indicates that 3-(Benzylsulfonyl)propanamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzylsulfonyl)propanamide. Following Lipinski's Rule of Five, 3-(Benzylsulfonyl)propanamide 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 3-(Benzylsulfonyl)propanamide?
The CAS number of 3-(Benzylsulfonyl)propanamide is 112982-07-7.
What is the molecular formula of 3-(Benzylsulfonyl)propanamide?
The molecular formula of 3-(Benzylsulfonyl)propanamide is C10H13NO3S.
What is the molecular weight of 3-(Benzylsulfonyl)propanamide?
The molecular weight of 3-(Benzylsulfonyl)propanamide is 227.06 g/mol.
Where can I buy 3-(Benzylsulfonyl)propanamide?
You can request a quote for 3-(Benzylsulfonyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzylsulfonyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylsulfonyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.