4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide
TL;DR: 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide (CAS 714915-83-0) is a chemical compound with molecular formula C16H15ClN2O6S and molecular weight 398.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide
Also Known As: 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide, 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide, 4-CHLORO-N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-N-[(FURAN-2-YL)METHYL]-3-NITROBENZAMIDE
| Molecular Formula | C16H15ClN2O6S |
|---|---|
| Molecular Weight | 398.03 g/mol |
| LogP | 2.6707 |
| Topological Polar Surface Area | 110.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.03394 |
| Heavy Atoms | 26 |
| Complexity | 941.6545 |
Chemical Identifiers
| CAS Number | 714915-83-0 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide (CAS 714915-83-0), with molecular formula C16H15ClN2O6S and molecular weight 398.03 g/mol. IUPAC: 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide
Property Insights of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide
The XLogP value of 2.6707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide. The TPSA of 110.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide has 0 hydrogen bond donor(s) and 6 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 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide?
The CAS number of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide is 714915-83-0.
What is the molecular formula of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide?
The molecular formula of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide is C16H15ClN2O6S.
What is the molecular weight of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide?
The molecular weight of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide is 398.03 g/mol.
Where can I buy 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide?
You can request a quote for 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.