A3879/0164869
TL;DR: A3879/0164869 (CAS 728035-96-9) is a chemical compound with molecular formula C19H17ClN4OS and molecular weight 384.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-1-(3-chlorophenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Also Known As: A3879/0164869, 6-benzyl-1-(3-chlorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-benzyl-1-(3-chlorophenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one, 6-benzyl-1-(3-chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-BENZYL-1-(3-CHLOROPHENYL)-2-SULFANYLIDENE-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]DIAZINO[4,5-D]PYRIMIDIN-4-ONE
| Molecular Formula | C19H17ClN4OS |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 3.93369 |
| Topological Polar Surface Area | 53.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.08115 |
| Heavy Atoms | 26 |
| Complexity | 1061.1245 |
Chemical Identifiers
| CAS Number | 728035-96-9 |
|---|---|
| SMILES | C1C2=C(NCN1CC3=CC=CC=C3)N(C(=S)NC2=O)C4=CC(=CC=C4)Cl |
Product Overview
A3879/0164869 (CAS 728035-96-9), with molecular formula C19H17ClN4OS and molecular weight 384.08 g/mol. IUPAC: 6-benzyl-1-(3-chlorophenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one.
Chemical Property Profile of A3879/0164869
Property Insights of A3879/0164869
The XLogP value of 3.93369 indicates that A3879/0164869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.06 Ų, A3879/0164869 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3879/0164869 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 A3879/0164869?
The CAS number of A3879/0164869 is 728035-96-9.
What is the molecular formula of A3879/0164869?
The molecular formula of A3879/0164869 is C19H17ClN4OS.
What is the molecular weight of A3879/0164869?
The molecular weight of A3879/0164869 is 384.08 g/mol.
Where can I buy A3879/0164869?
You can request a quote for A3879/0164869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3879/0164869?
Yes, KEHONG BIO provides custom synthesis services for A3879/0164869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.