A3908/0166188
TL;DR: A3908/0166188 (CAS 879595-88-7) is a chemical compound with molecular formula C19H16ClFN4OS and molecular weight 402.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Also Known As: A3908/0166188, 6-(2-chlorobenzyl)-1-(4-fluorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-(2-chlorobenzyl)-1-(4-fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-[(2-CHLOROPHENYL)METHYL]-1-(4-FLUOROPHENYL)-2-SULFANYLIDENE-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]DIAZINO[4,5-D]PYRIMIDIN-4-ONE, 6-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
| Molecular Formula | C19H16ClFN4OS |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 4.07279 |
| Topological Polar Surface Area | 53.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.07175 |
| Heavy Atoms | 27 |
| Complexity | 1109.9279 |
Chemical Identifiers
| CAS Number | 879595-88-7 |
|---|---|
| SMILES | C1C2=C(NCN1CC3=CC=CC=C3Cl)N(C(=S)NC2=O)C4=CC=C(C=C4)F |
Product Overview
A3908/0166188 (CAS 879595-88-7), with molecular formula C19H16ClFN4OS and molecular weight 402.07 g/mol. IUPAC: 6-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one.
Chemical Property Profile of A3908/0166188
Property Insights of A3908/0166188
The XLogP value of 4.07279 indicates that A3908/0166188 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.06 Ų, A3908/0166188 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3908/0166188 has 2 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 A3908/0166188?
The CAS number of A3908/0166188 is 879595-88-7.
What is the molecular formula of A3908/0166188?
The molecular formula of A3908/0166188 is C19H16ClFN4OS.
What is the molecular weight of A3908/0166188?
The molecular weight of A3908/0166188 is 402.07 g/mol.
Where can I buy A3908/0166188?
You can request a quote for A3908/0166188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3908/0166188?
Yes, KEHONG BIO provides custom synthesis services for A3908/0166188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.