AB00671090-01
TL;DR: AB00671090-01 (CAS 852170-65-1) 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.
benzyl 2-(7-ethyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate
Also Known As: AB00671090-01, F0654-0245, benzyl 2-(7-ethyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate, benzyl 2-((2-ethyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetate, benzyl 2-({2-ethyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetate
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 1.4251 |
| 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 | 1138.6093 |
Chemical Identifiers
| CAS Number | 852170-65-1 |
|---|---|
| SMILES | CCC1=NC2=C(C(=N1)SCC(=O)OCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C |
Product Overview
AB00671090-01 (CAS 852170-65-1), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: benzyl 2-(7-ethyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate.
Chemical Property Profile of AB00671090-01
Property Insights of AB00671090-01
The XLogP value of 1.4251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00671090-01. The TPSA of 96.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00671090-01. Following Lipinski's Rule of Five, AB00671090-01 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 AB00671090-01?
The CAS number of AB00671090-01 is 852170-65-1.
What is the molecular formula of AB00671090-01?
The molecular formula of AB00671090-01 is C19H20N4O4S.
What is the molecular weight of AB00671090-01?
The molecular weight of AB00671090-01 is 400.12 g/mol.
Where can I buy AB00671090-01?
You can request a quote for AB00671090-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00671090-01?
Yes, KEHONG BIO provides custom synthesis services for AB00671090-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.