AB00684831-01
TL;DR: AB00684831-01 (CAS 852170-69-5) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB00684831-01, F0654-0254, 7-ethyl-5-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-ethyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione, 7-ethyl-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 1.5732 |
| Topological Polar Surface Area | 96.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 1165.7428 |
Chemical Identifiers
| CAS Number | 852170-69-5 |
|---|---|
| SMILES | CCC1=NC2=C(C(=N1)SCC(=O)C3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C |
Product Overview
AB00684831-01 (CAS 852170-69-5), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: 7-ethyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB00684831-01
Property Insights of AB00684831-01
The XLogP value of 1.5732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684831-01. The TPSA of 96.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684831-01. Following Lipinski's Rule of Five, AB00684831-01 has 0 hydrogen bond donor(s) and 7 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 AB00684831-01?
The CAS number of AB00684831-01 is 852170-69-5.
What is the molecular formula of AB00684831-01?
The molecular formula of AB00684831-01 is C19H20N4O4S.
What is the molecular weight of AB00684831-01?
The molecular weight of AB00684831-01 is 400.12 g/mol.
Where can I buy AB00684831-01?
You can request a quote for AB00684831-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684831-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684831-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.