A3801/0161310
TL;DR: A3801/0161310 (CAS 727685-97-4) 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-(4-fluorophenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Also Known As: A3801/0161310, 6-benzyl-1-(4-fluorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-benzyl-1-(4-fluorophenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one, 1H-Pyrimido[4,5-d]pyrimidin-4-one, 6-benzyl-1-(4-fluorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydro-, 6-benzyl-1-(4-fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-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 | 1043.8745 |
Chemical Identifiers
| CAS Number | 727685-97-4 |
|---|---|
| SMILES | C1C2=C(NCN1CC3=CC=CC=C3)N(C(=S)NC2=O)C4=CC=C(C=C4)F |
Product Overview
A3801/0161310 (CAS 727685-97-4), with molecular formula C19H17FN4OS and molecular weight 368.11 g/mol. IUPAC: 6-benzyl-1-(4-fluorophenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one.
Chemical Property Profile of A3801/0161310
Property Insights of A3801/0161310
The XLogP value of 3.41939 indicates that A3801/0161310 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.06 Ų, A3801/0161310 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3801/0161310 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 A3801/0161310?
The CAS number of A3801/0161310 is 727685-97-4.
What is the molecular formula of A3801/0161310?
The molecular formula of A3801/0161310 is C19H17FN4OS.
What is the molecular weight of A3801/0161310?
The molecular weight of A3801/0161310 is 368.11 g/mol.
Where can I buy A3801/0161310?
You can request a quote for A3801/0161310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3801/0161310?
Yes, KEHONG BIO provides custom synthesis services for A3801/0161310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.