AB00671080-01
TL;DR: AB00671080-01 (CAS 852169-10-9) is a chemical compound with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB00671080-01, 5-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, F0654-0125, 5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,7-trimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C18H18N4O4S |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 1.31922 |
| Topological Polar Surface Area | 96.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.1049 |
| Heavy Atoms | 27 |
| Complexity | 1149.2109 |
Chemical Identifiers
| CAS Number | 852169-10-9 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)C3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C |
Product Overview
AB00671080-01 (CAS 852169-10-9), with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol. IUPAC: 5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB00671080-01
Property Insights of AB00671080-01
The XLogP value of 1.31922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00671080-01. The TPSA of 96.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00671080-01. Following Lipinski's Rule of Five, AB00671080-01 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 AB00671080-01?
The CAS number of AB00671080-01 is 852169-10-9.
What is the molecular formula of AB00671080-01?
The molecular formula of AB00671080-01 is C18H18N4O4S.
What is the molecular weight of AB00671080-01?
The molecular weight of AB00671080-01 is 386.10 g/mol.
Where can I buy AB00671080-01?
You can request a quote for AB00671080-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00671080-01?
Yes, KEHONG BIO provides custom synthesis services for AB00671080-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.