2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide
TL;DR: 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide (CAS 835892-20-1) is a chemical compound with molecular formula C16H16ClN3O3S2 and molecular weight 397.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-chloro-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
Also Known As: 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide, 2-benzylsulfanyl-5-chloro-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
| Molecular Formula | C16H16ClN3O3S2 |
|---|---|
| Molecular Weight | 397.03 g/mol |
| LogP | 2.3392 |
| Topological Polar Surface Area | 89.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.03217 |
| Heavy Atoms | 25 |
| Complexity | 875.4486 |
Chemical Identifiers
| CAS Number | 835892-20-1 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3 |
Product Overview
2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide (CAS 835892-20-1), with molecular formula C16H16ClN3O3S2 and molecular weight 397.03 g/mol. IUPAC: 2-benzylsulfanyl-5-chloro-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide.
Chemical Property Profile of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide
Property Insights of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide
The XLogP value of 2.3392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide. The TPSA of 89.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide has 1 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 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide?
The CAS number of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide is 835892-20-1.
What is the molecular formula of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide?
The molecular formula of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide is C16H16ClN3O3S2.
What is the molecular weight of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide?
The molecular weight of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide is 397.03 g/mol.
Where can I buy 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide?
You can request a quote for 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.