ChemDiv3_004402
TL;DR: ChemDiv3_004402 (CAS 438023-67-7) is a chemical compound with molecular formula C13H12F3N3OS and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-(trifluoromethyl)-3,6,7,8-tetrahydropyrimido[2,1-b][1,3,5]thiadiazin-4-one
Also Known As: ChemDiv3_004402, IDI1_022312, BRD-A19182390-001-01-8, 2-phenyl-2-(trifluoromethyl)-2,3,7,8-tetrahydropyrimido[2,1-b][1,3,5]thiadiazin-4(6H)-one, 2-phenyl-2-(trifluoromethyl)-3,6,7,8-tetrahydropyrimido[2,1-b][1,3,5]thiadiazin-4-one
| Molecular Formula | C13H12F3N3OS |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 2.9198 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.0653 |
| Heavy Atoms | 21 |
| Complexity | 590.07434 |
Chemical Identifiers
| CAS Number | 438023-67-7 |
|---|---|
| SMILES | C1CN=C2N(C1)C(=O)NC(S2)(C3=CC=CC=C3)C(F)(F)F |
Product Overview
ChemDiv3_004402 (CAS 438023-67-7), with molecular formula C13H12F3N3OS and molecular weight 315.07 g/mol. IUPAC: 2-phenyl-2-(trifluoromethyl)-3,6,7,8-tetrahydropyrimido[2,1-b][1,3,5]thiadiazin-4-one.
Chemical Property Profile of ChemDiv3_004402
Property Insights of ChemDiv3_004402
The XLogP value of 2.9198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004402. With a topological polar surface area (TPSA) of 44.7 Ų, ChemDiv3_004402 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004402 has 1 hydrogen bond donor(s) and 3 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_004402?
The CAS number of ChemDiv3_004402 is 438023-67-7.
What is the molecular formula of ChemDiv3_004402?
The molecular formula of ChemDiv3_004402 is C13H12F3N3OS.
What is the molecular weight of ChemDiv3_004402?
The molecular weight of ChemDiv3_004402 is 315.07 g/mol.
Where can I buy ChemDiv3_004402?
You can request a quote for ChemDiv3_004402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004402?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.