AB00684827-01
TL;DR: AB00684827-01 (CAS 852168-90-2) is a chemical compound with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate
Also Known As: AB00684827-01, F0654-0111, ethyl 2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetate, ethyl 2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate, ethyl 2-({2,6,8-trimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetate
| Molecular Formula | C13H16N4O4S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | -0.00918 |
| Topological Polar Surface Area | 96.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.08923 |
| Heavy Atoms | 22 |
| Complexity | 855.70966 |
Chemical Identifiers
| CAS Number | 852168-90-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C |
Product Overview
AB00684827-01 (CAS 852168-90-2), with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol. IUPAC: ethyl 2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate.
Chemical Property Profile of AB00684827-01
Property Insights of AB00684827-01
The XLogP value of -0.00918 indicates that AB00684827-01 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684827-01. Following Lipinski's Rule of Five, AB00684827-01 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 AB00684827-01?
The CAS number of AB00684827-01 is 852168-90-2.
What is the molecular formula of AB00684827-01?
The molecular formula of AB00684827-01 is C13H16N4O4S.
What is the molecular weight of AB00684827-01?
The molecular weight of AB00684827-01 is 324.09 g/mol.
Where can I buy AB00684827-01?
You can request a quote for AB00684827-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684827-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684827-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.