3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
TL;DR: 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide (CAS 644957-22-2) is a chemical compound with molecular formula C15H21NO2S and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
Also Known As: BAS 06741621, 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide, AH-487/42142755, 3-(4-methylphenylthio)-N-(oxolan-2-ylmethyl)propanamide, 3-[(4-methylphenyl)thio]-N-(tetrahydro-2-furanylmethyl)propanamide
| Molecular Formula | C15H21NO2S |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 2.77242 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.1293 |
| Heavy Atoms | 19 |
| Complexity | 399.11154 |
Chemical Identifiers
| CAS Number | 644957-22-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCC(=O)NCC2CCCO2 |
Product Overview
3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide (CAS 644957-22-2), with molecular formula C15H21NO2S and molecular weight 279.13 g/mol. IUPAC: 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide.
Chemical Property Profile of 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
Property Insights of 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
The XLogP value of 2.77242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide. With a topological polar surface area (TPSA) of 38.33 Ų, 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)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-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The CAS number of 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide is 644957-22-2.
What is the molecular formula of 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The molecular formula of 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide is C15H21NO2S.
What is the molecular weight of 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The molecular weight of 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide is 279.13 g/mol.
Where can I buy 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
You can request a quote for 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.