2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
TL;DR: 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide (CAS 833438-07-6) is a chemical compound with molecular formula C21H20ClN3O3S3 and molecular weight 493.04 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)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
Also Known As: 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide, 2-benzylsulfanyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
| Molecular Formula | C21H20ClN3O3S3 |
|---|---|
| Molecular Weight | 493.04 g/mol |
| LogP | 4.3133 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.03552 |
| Heavy Atoms | 31 |
| Complexity | 1155.1229 |
Chemical Identifiers
| CAS Number | 833438-07-6 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4 |
Product Overview
2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide (CAS 833438-07-6), with molecular formula C21H20ClN3O3S3 and molecular weight 493.04 g/mol. IUPAC: 2-benzylsulfanyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide.
Chemical Property Profile of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
Property Insights of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
The XLogP value of 4.3133 indicates that 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide has 0 hydrogen bond donor(s) and 7 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)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide?
The CAS number of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide is 833438-07-6.
What is the molecular formula of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide?
The molecular formula of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide is C21H20ClN3O3S3.
What is the molecular weight of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide?
The molecular weight of 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide is 493.04 g/mol.
Where can I buy 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide?
You can request a quote for 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)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)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.