A3908/0166187
TL;DR: A3908/0166187 (CAS 879588-59-7) is a chemical compound with molecular formula C19H17FN4OS and molecular weight 368.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-1-(2-fluorophenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Also Known As: A3908/0166187, 6-benzyl-1-(2-fluorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-benzyl-1-(2-fluorophenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one, 6-benzyl-1-(2-fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-BENZYL-1-(2-FLUOROPHENYL)-2-SULFANYLIDENE-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]DIAZINO[4,5-D]PYRIMIDIN-4-ONE
| Molecular Formula | C19H17FN4OS |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | 3.41939 |
| Topological Polar Surface Area | 53.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.11072 |
| Heavy Atoms | 26 |
| Complexity | 1061.1245 |
Chemical Identifiers
| CAS Number | 879588-59-7 |
|---|---|
| SMILES | C1C2=C(NCN1CC3=CC=CC=C3)N(C(=S)NC2=O)C4=CC=CC=C4F |
Product Overview
A3908/0166187 (CAS 879588-59-7), with molecular formula C19H17FN4OS and molecular weight 368.11 g/mol. IUPAC: 6-benzyl-1-(2-fluorophenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one.
Chemical Property Profile of A3908/0166187
Property Insights of A3908/0166187
The XLogP value of 3.41939 indicates that A3908/0166187 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.06 Ų, A3908/0166187 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3908/0166187 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 A3908/0166187?
The CAS number of A3908/0166187 is 879588-59-7.
What is the molecular formula of A3908/0166187?
The molecular formula of A3908/0166187 is C19H17FN4OS.
What is the molecular weight of A3908/0166187?
The molecular weight of A3908/0166187 is 368.11 g/mol.
Where can I buy A3908/0166187?
You can request a quote for A3908/0166187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3908/0166187?
Yes, KEHONG BIO provides custom synthesis services for A3908/0166187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.