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N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide
TL;DR: N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide (CAS 714259-42-4) is a chemical compound with molecular formula C19H23NOS and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-4-[(4-methylphenyl)sulfanylmethyl]benzamide
Also Known As: 4-[[(4-Methylphenyl)thio]methyl]-N-(1-methylpropyl)benzamide, N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide, N-butan-2-yl-4-[(4-methylphenyl)sulfanylmethyl]benzamide
| Molecular Formula | C19H23NOS |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 4.81562 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.15002 |
| Heavy Atoms | 22 |
| Complexity | 604.3372 |
Chemical Identifiers
| CAS Number | 714259-42-4 |
|---|---|
| SMILES | CCC(C)NC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)C |
Product Overview
N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide (CAS 714259-42-4), with molecular formula C19H23NOS and molecular weight 313.15 g/mol. IUPAC: N-butan-2-yl-4-[(4-methylphenyl)sulfanylmethyl]benzamide.
Chemical Property Profile of N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide
Property Insights of N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide
The XLogP value of 4.81562 indicates that N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide 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 N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide?
The CAS number of N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide is 714259-42-4.
What is the molecular formula of N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide?
The molecular formula of N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide is C19H23NOS.
What is the molecular weight of N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide?
The molecular weight of N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide is 313.15 g/mol.
Where can I buy N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide?
You can request a quote for N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(butan-2-yl)-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.