A3794/0161114
TL;DR: A3794/0161114 (CAS 727684-64-2) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(furan-2-ylmethyl)-1-(4-methylphenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Also Known As: A3794/0161114, 6-(furan-2-ylmethyl)-1-(4-methylphenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-(furan-2-ylmethyl)-1-(4-methylphenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one, 6-(furan-2-ylmethyl)-1-(4-methylphenyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-(furan-2-ylmethyl)-2-thioxo-1-(p-tolyl)-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.18171 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 1003.0456 |
Chemical Identifiers
| CAS Number | 727684-64-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(CN(CN3)CC4=CC=CO4)C(=O)NC2=S |
Product Overview
A3794/0161114 (CAS 727684-64-2), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 6-(furan-2-ylmethyl)-1-(4-methylphenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one.
Chemical Property Profile of A3794/0161114
Property Insights of A3794/0161114
The XLogP value of 3.18171 indicates that A3794/0161114 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for A3794/0161114. Following Lipinski's Rule of Five, A3794/0161114 has 2 hydrogen bond donor(s) and 5 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 A3794/0161114?
The CAS number of A3794/0161114 is 727684-64-2.
What is the molecular formula of A3794/0161114?
The molecular formula of A3794/0161114 is C18H18N4O2S.
What is the molecular weight of A3794/0161114?
The molecular weight of A3794/0161114 is 354.12 g/mol.
Where can I buy A3794/0161114?
You can request a quote for A3794/0161114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3794/0161114?
Yes, KEHONG BIO provides custom synthesis services for A3794/0161114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.