![5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide structure](/static/products/836/836666-57-0.png)
5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide
TL;DR: 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide (CAS 836666-57-0) is a chemical compound with molecular formula C19H21ClFN3O3S2 and molecular weight 457.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide
Also Known As: 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide, 5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide, 5-CHLORO-N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-N-[(4-FLUOROPHENYL)METHYL]-2-(PROPYLSULFANYL)PYRIMIDINE-4-CARBOXAMIDE
| Molecular Formula | C19H21ClFN3O3S2 |
|---|---|
| Molecular Weight | 457.07 g/mol |
| LogP | 3.6007 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.0697 |
| Heavy Atoms | 29 |
| Complexity | 986.6939 |
Chemical Identifiers
| CAS Number | 836666-57-0 |
|---|---|
| SMILES | CCCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)F)C3CCS(=O)(=O)C3)Cl |
Product Overview
5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide (CAS 836666-57-0), with molecular formula C19H21ClFN3O3S2 and molecular weight 457.07 g/mol. IUPAC: 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide
Property Insights of 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide
The XLogP value of 3.6007 indicates that 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-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 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide. Following Lipinski's Rule of Five, 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-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 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide?
The CAS number of 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide is 836666-57-0.
What is the molecular formula of 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide?
The molecular formula of 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide is C19H21ClFN3O3S2.
What is the molecular weight of 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide?
The molecular weight of 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide is 457.07 g/mol.
Where can I buy 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide?
You can request a quote for 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-propylsulfanylpyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.