J2.980.655A
TL;DR: J2.980.655A (CAS 394226-76-7) is a chemical compound with molecular formula C15H15F3N2O2S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: J2.980.655A, ethyl 6-methyl-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate, F0736-0003, ethyl 6-methyl-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 6-methyl-2-thioxo-4-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C15H15F3N2O2S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 3.0613 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.08063 |
| Heavy Atoms | 23 |
| Complexity | 653.68097 |
Chemical Identifiers
| CAS Number | 394226-76-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)C(F)(F)F)C |
Product Overview
J2.980.655A (CAS 394226-76-7), with molecular formula C15H15F3N2O2S and molecular weight 344.08 g/mol. IUPAC: ethyl 6-methyl-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of J2.980.655A
Property Insights of J2.980.655A
The XLogP value of 3.0613 indicates that J2.980.655A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, J2.980.655A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J2.980.655A has 2 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 J2.980.655A?
The CAS number of J2.980.655A is 394226-76-7.
What is the molecular formula of J2.980.655A?
The molecular formula of J2.980.655A is C15H15F3N2O2S.
What is the molecular weight of J2.980.655A?
The molecular weight of J2.980.655A is 344.08 g/mol.
Where can I buy J2.980.655A?
You can request a quote for J2.980.655A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.980.655A?
Yes, KEHONG BIO provides custom synthesis services for J2.980.655A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.