AB00671199-01
TL;DR: AB00671199-01 (CAS 847191-18-8) is a chemical compound with molecular formula C19H15FN4O3S and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-fluorophenyl)methylsulfanyl]-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB00671199-01, 5-((4-fluorobenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, F0654-1377, 5-[(4-fluorophenyl)methylsulfanyl]-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-{[(4-FLUOROPHENYL)METHYL]SULFANYL}-7-(FURAN-2-YL)-1,3-DIMETHYL-1H,2H,3H,4H-[1,3]DIAZINO[4,5-D]PYRIMIDINE-2,4-DIONE
| Molecular Formula | C19H15FN4O3S |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 2.7186 |
| Topological Polar Surface Area | 82.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.0849 |
| Heavy Atoms | 28 |
| Complexity | 1278.0156 |
Chemical Identifiers
| CAS Number | 847191-18-8 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CO3)SCC4=CC=C(C=C4)F)C(=O)N(C1=O)C |
Product Overview
AB00671199-01 (CAS 847191-18-8), with molecular formula C19H15FN4O3S and molecular weight 398.08 g/mol. IUPAC: 5-[(4-fluorophenyl)methylsulfanyl]-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB00671199-01
Property Insights of AB00671199-01
The XLogP value of 2.7186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00671199-01. The TPSA of 82.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00671199-01. Following Lipinski's Rule of Five, AB00671199-01 has 0 hydrogen bond donor(s) and 6 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 AB00671199-01?
The CAS number of AB00671199-01 is 847191-18-8.
What is the molecular formula of AB00671199-01?
The molecular formula of AB00671199-01 is C19H15FN4O3S.
What is the molecular weight of AB00671199-01?
The molecular weight of AB00671199-01 is 398.08 g/mol.
Where can I buy AB00671199-01?
You can request a quote for AB00671199-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00671199-01?
Yes, KEHONG BIO provides custom synthesis services for AB00671199-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.