AB00439560-05
TL;DR: AB00439560-05 (CAS 686771-49-3) is a chemical compound with molecular formula C20H23N3O3S2 and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: AB00439560-05, F0579-0135, 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide, 2-((4-oxo-3-(p-tolyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
| Molecular Formula | C20H23N3O3S2 |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 2.57642 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.11807 |
| Heavy Atoms | 28 |
| Complexity | 921.52856 |
Chemical Identifiers
| CAS Number | 686771-49-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NCC4CCCO4 |
Product Overview
AB00439560-05 (CAS 686771-49-3), with molecular formula C20H23N3O3S2 and molecular weight 417.12 g/mol. IUPAC: 2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of AB00439560-05
Property Insights of AB00439560-05
The XLogP value of 2.57642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00439560-05. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00439560-05. Following Lipinski's Rule of Five, AB00439560-05 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 AB00439560-05?
The CAS number of AB00439560-05 is 686771-49-3.
What is the molecular formula of AB00439560-05?
The molecular formula of AB00439560-05 is C20H23N3O3S2.
What is the molecular weight of AB00439560-05?
The molecular weight of AB00439560-05 is 417.12 g/mol.
Where can I buy AB00439560-05?
You can request a quote for AB00439560-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00439560-05?
Yes, KEHONG BIO provides custom synthesis services for AB00439560-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.