2-benzylsulfanyl-N-tert-butylpropanamide
TL;DR: 2-benzylsulfanyl-N-tert-butylpropanamide (CAS 333446-97-2) is a chemical compound with molecular formula C14H21NOS and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-tert-butylpropanamide
Also Known As: 2-benzylsulfanyl-N-tert-butylpropanamide, 2-(benzylsulfanyl)-N-(tert-butyl)propanamide, 2-benzylsulfanyl-N-tert-butyl-propanamide
| Molecular Formula | C14H21NOS |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 3.223 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.13438 |
| Heavy Atoms | 17 |
| Complexity | 356.23502 |
Chemical Identifiers
| CAS Number | 333446-97-2 |
|---|---|
| SMILES | CC(C(=O)NC(C)(C)C)SCC1=CC=CC=C1 |
Product Overview
2-benzylsulfanyl-N-tert-butylpropanamide (CAS 333446-97-2), with molecular formula C14H21NOS and molecular weight 251.13 g/mol. IUPAC: 2-benzylsulfanyl-N-tert-butylpropanamide.
Chemical Property Profile of 2-benzylsulfanyl-N-tert-butylpropanamide
Property Insights of 2-benzylsulfanyl-N-tert-butylpropanamide
The XLogP value of 3.223 indicates that 2-benzylsulfanyl-N-tert-butylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-benzylsulfanyl-N-tert-butylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzylsulfanyl-N-tert-butylpropanamide has 1 hydrogen bond donor(s) and 2 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 2-benzylsulfanyl-N-tert-butylpropanamide?
The CAS number of 2-benzylsulfanyl-N-tert-butylpropanamide is 333446-97-2.
What is the molecular formula of 2-benzylsulfanyl-N-tert-butylpropanamide?
The molecular formula of 2-benzylsulfanyl-N-tert-butylpropanamide is C14H21NOS.
What is the molecular weight of 2-benzylsulfanyl-N-tert-butylpropanamide?
The molecular weight of 2-benzylsulfanyl-N-tert-butylpropanamide is 251.13 g/mol.
Where can I buy 2-benzylsulfanyl-N-tert-butylpropanamide?
You can request a quote for 2-benzylsulfanyl-N-tert-butylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzylsulfanyl-N-tert-butylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-benzylsulfanyl-N-tert-butylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.