A4006/0170786
TL;DR: A4006/0170786 (CAS 879570-23-7) is a chemical compound with molecular formula C21H21FN4OS and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-6-(3-phenylpropyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Also Known As: A4006/0170786, 1-(4-fluorophenyl)-6-(3-phenylpropyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 1-(4-fluorophenyl)-6-(3-phenylpropyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 1-(4-FLUOROPHENYL)-6-(3-PHENYLPROPYL)-2-SULFANYLIDENE-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]DIAZINO[4,5-D]PYRIMIDIN-4-ONE, 1-(4-fluorophenyl)-6-(3-phenylpropyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
| Molecular Formula | C21H21FN4OS |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 3.85199 |
| Topological Polar Surface Area | 53.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.142 |
| Heavy Atoms | 28 |
| Complexity | 1076.3 |
Chemical Identifiers
| CAS Number | 879570-23-7 |
|---|---|
| SMILES | C1C2=C(NCN1CCCC3=CC=CC=C3)N(C(=S)NC2=O)C4=CC=C(C=C4)F |
Product Overview
A4006/0170786 (CAS 879570-23-7), with molecular formula C21H21FN4OS and molecular weight 396.14 g/mol. IUPAC: 1-(4-fluorophenyl)-6-(3-phenylpropyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one.
Chemical Property Profile of A4006/0170786
Property Insights of A4006/0170786
The XLogP value of 3.85199 indicates that A4006/0170786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.06 Ų, A4006/0170786 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4006/0170786 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 A4006/0170786?
The CAS number of A4006/0170786 is 879570-23-7.
What is the molecular formula of A4006/0170786?
The molecular formula of A4006/0170786 is C21H21FN4OS.
What is the molecular weight of A4006/0170786?
The molecular weight of A4006/0170786 is 396.14 g/mol.
Where can I buy A4006/0170786?
You can request a quote for A4006/0170786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4006/0170786?
Yes, KEHONG BIO provides custom synthesis services for A4006/0170786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.