AB00684523-01
TL;DR: AB00684523-01 (CAS 687568-54-3) is a chemical compound with molecular formula C19H16N4O5S2 and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: AB00684523-01, F0579-0834, N-(furan-2-ylmethyl)-2-((3-(4-nitrophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-(furan-2-ylmethyl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide, N-[(furan-2-yl)methyl]-2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C19H16N4O5S2 |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 2.7904 |
| Topological Polar Surface Area | 120.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.0562 |
| Heavy Atoms | 30 |
| Complexity | 1142.9766 |
Chemical Identifiers
| CAS Number | 687568-54-3 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)NCC4=CC=CO4 |
Product Overview
AB00684523-01 (CAS 687568-54-3), with molecular formula C19H16N4O5S2 and molecular weight 444.06 g/mol. IUPAC: N-(furan-2-ylmethyl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00684523-01
Property Insights of AB00684523-01
The XLogP value of 2.7904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684523-01. The TPSA of 120.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684523-01. Following Lipinski's Rule of Five, AB00684523-01 has 1 hydrogen bond donor(s) and 8 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 AB00684523-01?
The CAS number of AB00684523-01 is 687568-54-3.
What is the molecular formula of AB00684523-01?
The molecular formula of AB00684523-01 is C19H16N4O5S2.
What is the molecular weight of AB00684523-01?
The molecular weight of AB00684523-01 is 444.06 g/mol.
Where can I buy AB00684523-01?
You can request a quote for AB00684523-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684523-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684523-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.