A3794/0161113
TL;DR: A3794/0161113 (CAS 727684-63-1) is a chemical compound with molecular formula C18H21ClN4OS and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-6-cyclohexyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Also Known As: A3794/0161113, 1-(2-chlorophenyl)-6-cyclohexyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 1-(2-chlorophenyl)-6-cyclohexyl-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 1-(2-CHLOROPHENYL)-6-CYCLOHEXYL-2-SULFANYLIDENE-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]DIAZINO[4,5-D]PYRIMIDIN-4-ONE, 1-(2-chlorophenyl)-6-cyclohexyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
| Molecular Formula | C18H21ClN4OS |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 4.06619 |
| Topological Polar Surface Area | 53.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.11246 |
| Heavy Atoms | 25 |
| Complexity | 900.67957 |
Chemical Identifiers
| CAS Number | 727684-63-1 |
|---|---|
| SMILES | C1CCC(CC1)N2CC3=C(NC2)N(C(=S)NC3=O)C4=CC=CC=C4Cl |
Product Overview
A3794/0161113 (CAS 727684-63-1), with molecular formula C18H21ClN4OS and molecular weight 376.11 g/mol. IUPAC: 1-(2-chlorophenyl)-6-cyclohexyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one.
Chemical Property Profile of A3794/0161113
Property Insights of A3794/0161113
The XLogP value of 4.06619 indicates that A3794/0161113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.06 Ų, A3794/0161113 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3794/0161113 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 A3794/0161113?
The CAS number of A3794/0161113 is 727684-63-1.
What is the molecular formula of A3794/0161113?
The molecular formula of A3794/0161113 is C18H21ClN4OS.
What is the molecular weight of A3794/0161113?
The molecular weight of A3794/0161113 is 376.11 g/mol.
Where can I buy A3794/0161113?
You can request a quote for A3794/0161113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3794/0161113?
Yes, KEHONG BIO provides custom synthesis services for A3794/0161113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.