AB00684837-01
TL;DR: AB00684837-01 (CAS 863003-20-7) is a chemical compound with molecular formula C18H17FN4O2S and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-cyclopropyl-5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB00684837-01, F0654-0731, 7-cyclopropyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione, 7-cyclopropyl-5-((3-fluorobenzyl)thio)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-cyclopropyl-5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C18H17FN4O2S |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 2.336 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.10562 |
| Heavy Atoms | 26 |
| Complexity | 1134.4648 |
Chemical Identifiers
| CAS Number | 863003-20-7 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3CC3)SCC4=CC(=CC=C4)F)C(=O)N(C1=O)C |
Product Overview
AB00684837-01 (CAS 863003-20-7), with molecular formula C18H17FN4O2S and molecular weight 372.11 g/mol. IUPAC: 7-cyclopropyl-5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB00684837-01
Property Insights of AB00684837-01
The XLogP value of 2.336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684837-01. The TPSA of 69.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684837-01. Following Lipinski's Rule of Five, AB00684837-01 has 0 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 AB00684837-01?
The CAS number of AB00684837-01 is 863003-20-7.
What is the molecular formula of AB00684837-01?
The molecular formula of AB00684837-01 is C18H17FN4O2S.
What is the molecular weight of AB00684837-01?
The molecular weight of AB00684837-01 is 372.11 g/mol.
Where can I buy AB00684837-01?
You can request a quote for AB00684837-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684837-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684837-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.