AB00684524-01
TL;DR: AB00684524-01 (CAS 687568-69-0) is a chemical compound with molecular formula C14H12N4O4S2 and molecular weight 364.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: AB00684524-01, 2-((3-(4-nitrophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, F0579-0848, 2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide, 2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C14H12N4O4S2 |
|---|---|
| Molecular Weight | 364.03 g/mol |
| LogP | 1.3663 |
| Topological Polar Surface Area | 121.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.03 |
| Heavy Atoms | 24 |
| Complexity | 879.57855 |
Chemical Identifiers
| CAS Number | 687568-69-0 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)N |
Product Overview
AB00684524-01 (CAS 687568-69-0), with molecular formula C14H12N4O4S2 and molecular weight 364.03 g/mol. IUPAC: 2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00684524-01
Property Insights of AB00684524-01
The XLogP value of 1.3663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684524-01. The TPSA of 121.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684524-01. Following Lipinski's Rule of Five, AB00684524-01 has 1 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 AB00684524-01?
The CAS number of AB00684524-01 is 687568-69-0.
What is the molecular formula of AB00684524-01?
The molecular formula of AB00684524-01 is C14H12N4O4S2.
What is the molecular weight of AB00684524-01?
The molecular weight of AB00684524-01 is 364.03 g/mol.
Where can I buy AB00684524-01?
You can request a quote for AB00684524-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684524-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684524-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.