2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide
TL;DR: 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide (CAS 896020-79-4) is a chemical compound with molecular formula C12H14ClNO3S and molecular weight 287.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
Also Known As: 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide, F2545-0146, 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide
| Molecular Formula | C12H14ClNO3S |
|---|---|
| Molecular Weight | 287.04 g/mol |
| LogP | 1.5991 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.0383 |
| Heavy Atoms | 18 |
| Complexity | 570.4402 |
Chemical Identifiers
| CAS Number | 896020-79-4 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=CC=C2Cl |
Product Overview
2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide (CAS 896020-79-4), with molecular formula C12H14ClNO3S and molecular weight 287.04 g/mol. IUPAC: 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide.
Chemical Property Profile of 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide
Property Insights of 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide
The XLogP value of 1.5991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide. With a topological polar surface area (TPSA) of 54.45 Ų, 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide 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 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide?
The CAS number of 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide is 896020-79-4.
What is the molecular formula of 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide?
The molecular formula of 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide is C12H14ClNO3S.
What is the molecular weight of 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide?
The molecular weight of 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide is 287.04 g/mol.
Where can I buy 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide?
You can request a quote for 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.