![5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide structure](/static/products/874/874191-74-9.png)
5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide
TL;DR: 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide (CAS 874191-74-9) is a chemical compound with molecular formula C20H17ClFN3OS and molecular weight 401.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide
Also Known As: 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide, 5-chloro-N-(2,6-dimethylphenyl)-2-((4-fluorobenzyl)thio)pyrimidine-4-carboxamide, 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide, 5-CHLORO-N-(2,6-DIMETHYLPHENYL)-2-{[(4-FLUOROPHENYL)METHYL]SULFANYL}PYRIMIDINE-4-CARBOXAMIDE
| Molecular Formula | C20H17ClFN3OS |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 5.43054 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.07648 |
| Heavy Atoms | 27 |
| Complexity | 959.2109 |
Chemical Identifiers
| CAS Number | 874191-74-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F |
Product Overview
5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide (CAS 874191-74-9), with molecular formula C20H17ClFN3OS and molecular weight 401.08 g/mol. IUPAC: 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide.
Chemical Property Profile of 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide
Property Insights of 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide
The XLogP value of 5.43054 indicates that 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide?
The CAS number of 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide is 874191-74-9.
What is the molecular formula of 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide?
The molecular formula of 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide is C20H17ClFN3OS.
What is the molecular weight of 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide?
The molecular weight of 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide is 401.08 g/mol.
Where can I buy 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide?
You can request a quote for 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]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 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.