ChemDiv3_002005
TL;DR: ChemDiv3_002005 (CAS 330829-29-3) is a chemical compound with molecular formula C16H13F6N3OS and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
Also Known As: ChemDiv3_002005, IDI1_020971, BRD-K11223920-001-01-5, 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide, 2-((4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)-N-(3-(trifluoromethyl)benzyl)acetamide
| Molecular Formula | C16H13F6N3OS |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 4.23112 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.06836 |
| Heavy Atoms | 27 |
| Complexity | 822.5334 |
Chemical Identifiers
| CAS Number | 330829-29-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)NCC2=CC(=CC=C2)C(F)(F)F)C(F)(F)F |
Product Overview
ChemDiv3_002005 (CAS 330829-29-3), with molecular formula C16H13F6N3OS and molecular weight 409.07 g/mol. IUPAC: 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
Chemical Property Profile of ChemDiv3_002005
Property Insights of ChemDiv3_002005
The XLogP value of 4.23112 indicates that ChemDiv3_002005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, ChemDiv3_002005 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002005 has 1 hydrogen bond donor(s) and 4 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 ChemDiv3_002005?
The CAS number of ChemDiv3_002005 is 330829-29-3.
What is the molecular formula of ChemDiv3_002005?
The molecular formula of ChemDiv3_002005 is C16H13F6N3OS.
What is the molecular weight of ChemDiv3_002005?
The molecular weight of ChemDiv3_002005 is 409.07 g/mol.
Where can I buy ChemDiv3_002005?
You can request a quote for ChemDiv3_002005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002005?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.