N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide
TL;DR: N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide (CAS 620557-85-9) is a chemical compound with molecular formula C16H22ClNO3S and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
Also Known As: N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide, N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
| Molecular Formula | C16H22ClNO3S |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 2.9018 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.1009 |
| Heavy Atoms | 22 |
| Complexity | 625.29596 |
Chemical Identifiers
| CAS Number | 620557-85-9 |
|---|---|
| SMILES | CC(C)CC(=O)N(CC1=CC=C(C=C1)Cl)C2CCS(=O)(=O)C2 |
Product Overview
N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide (CAS 620557-85-9), with molecular formula C16H22ClNO3S and molecular weight 343.10 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide.
Chemical Property Profile of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide
Property Insights of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide
The XLogP value of 2.9018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide. With a topological polar surface area (TPSA) of 54.45 Ų, N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide has 0 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 N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide?
The CAS number of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide is 620557-85-9.
What is the molecular formula of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide?
The molecular formula of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide is C16H22ClNO3S.
What is the molecular weight of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide?
The molecular weight of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide is 343.10 g/mol.
Where can I buy N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide?
You can request a quote for N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.