AB00439904-03
TL;DR: AB00439904-03 (CAS 686772-48-5) is a chemical compound with molecular formula C16H17N3O3S2 and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: AB00439904-03, F0579-0448, 2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide, 2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]thio}acetamide
| Molecular Formula | C16H17N3O3S2 |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 1.8568 |
| Topological Polar Surface Area | 87.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.07114 |
| Heavy Atoms | 24 |
| Complexity | 818.55273 |
Chemical Identifiers
| CAS Number | 686772-48-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)N |
Product Overview
AB00439904-03 (CAS 686772-48-5), with molecular formula C16H17N3O3S2 and molecular weight 363.07 g/mol. IUPAC: 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00439904-03
Property Insights of AB00439904-03
The XLogP value of 1.8568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00439904-03. The TPSA of 87.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00439904-03. Following Lipinski's Rule of Five, AB00439904-03 has 1 hydrogen bond donor(s) and 6 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 AB00439904-03?
The CAS number of AB00439904-03 is 686772-48-5.
What is the molecular formula of AB00439904-03?
The molecular formula of AB00439904-03 is C16H17N3O3S2.
What is the molecular weight of AB00439904-03?
The molecular weight of AB00439904-03 is 363.07 g/mol.
Where can I buy AB00439904-03?
You can request a quote for AB00439904-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00439904-03?
Yes, KEHONG BIO provides custom synthesis services for AB00439904-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.