N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide
TL;DR: N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide (CAS 833433-72-0) is a chemical compound with molecular formula C17H18ClN3O3S2 and molecular weight 411.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide, N-benzyl-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide, N-benzyl-5-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide, N-BENZYL-5-CHLORO-N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-2-(METHYLSULFANYL)PYRIMIDINE-4-CARBOXAMIDE
| Molecular Formula | C17H18ClN3O3S2 |
|---|---|
| Molecular Weight | 411.05 g/mol |
| LogP | 2.6814 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.04782 |
| Heavy Atoms | 26 |
| Complexity | 906.72406 |
Chemical Identifiers
| CAS Number | 833433-72-0 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3)Cl |
Product Overview
N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide (CAS 833433-72-0), with molecular formula C17H18ClN3O3S2 and molecular weight 411.05 g/mol. IUPAC: N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide
Property Insights of N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide
The XLogP value of 2.6814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide. Following Lipinski's Rule of Five, N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide 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 N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide?
The CAS number of N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide is 833433-72-0.
What is the molecular formula of N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide?
The molecular formula of N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide is C17H18ClN3O3S2.
What is the molecular weight of N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide?
The molecular weight of N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide is 411.05 g/mol.
Where can I buy N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide?
You can request a quote for N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.