2-benzylsulfanyl-N-propan-2-ylpropanamide
TL;DR: 2-benzylsulfanyl-N-propan-2-ylpropanamide (CAS 333450-74-1) is a chemical compound with molecular formula C13H19NOS and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-propan-2-ylpropanamide
Also Known As: 2-benzylsulfanyl-N-propan-2-ylpropanamide, 2-Benzylsulfanyl-N-isopropyl-propionamide, BAS 02189000, 2-(benzylsulfanyl)-N-(propan-2-yl)propanamide, N-(methylethyl)-2-(phenylmethylthio)propanamide
| Molecular Formula | C13H19NOS |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 2.8329 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.11873 |
| Heavy Atoms | 16 |
| Complexity | 323.9643 |
Chemical Identifiers
| CAS Number | 333450-74-1 |
|---|---|
| SMILES | CC(C)NC(=O)C(C)SCC1=CC=CC=C1 |
Product Overview
2-benzylsulfanyl-N-propan-2-ylpropanamide (CAS 333450-74-1), with molecular formula C13H19NOS and molecular weight 237.12 g/mol. IUPAC: 2-benzylsulfanyl-N-propan-2-ylpropanamide.
Chemical Property Profile of 2-benzylsulfanyl-N-propan-2-ylpropanamide
Property Insights of 2-benzylsulfanyl-N-propan-2-ylpropanamide
The XLogP value of 2.8329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzylsulfanyl-N-propan-2-ylpropanamide. With a topological polar surface area (TPSA) of 29.1 Ų, 2-benzylsulfanyl-N-propan-2-ylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzylsulfanyl-N-propan-2-ylpropanamide 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-propan-2-ylpropanamide?
The CAS number of 2-benzylsulfanyl-N-propan-2-ylpropanamide is 333450-74-1.
What is the molecular formula of 2-benzylsulfanyl-N-propan-2-ylpropanamide?
The molecular formula of 2-benzylsulfanyl-N-propan-2-ylpropanamide is C13H19NOS.
What is the molecular weight of 2-benzylsulfanyl-N-propan-2-ylpropanamide?
The molecular weight of 2-benzylsulfanyl-N-propan-2-ylpropanamide is 237.12 g/mol.
Where can I buy 2-benzylsulfanyl-N-propan-2-ylpropanamide?
You can request a quote for 2-benzylsulfanyl-N-propan-2-ylpropanamide 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-propan-2-ylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-benzylsulfanyl-N-propan-2-ylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.