A2683/0114379
TL;DR: A2683/0114379 (CAS 401822-70-6) is a chemical compound with molecular formula C23H17FN4O4S2 and molecular weight 496.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluoro-3-nitrophenyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: A2683/0114379, N-(4-fluoro-3-nitrophenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(4-fluoro-3-nitrophenyl)-2-((4-oxo-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(4-fluoro-3-nitrophenyl)-2-[(1-oxo-2-phenyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)sulfanyl]acetamide, N-(4-fluoro-3-nitrophenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]acetamide
| Molecular Formula | C23H17FN4O4S2 |
|---|---|
| Molecular Weight | 496.07 g/mol |
| LogP | 4.714 |
| Topological Polar Surface Area | 107.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.06754 |
| Heavy Atoms | 34 |
| Complexity | 1500.6252 |
Chemical Identifiers
| CAS Number | 401822-70-6 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-])C5=CC=CC=C5 |
Product Overview
A2683/0114379 (CAS 401822-70-6), with molecular formula C23H17FN4O4S2 and molecular weight 496.07 g/mol. IUPAC: N-(4-fluoro-3-nitrophenyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
Chemical Property Profile of A2683/0114379
Property Insights of A2683/0114379
The XLogP value of 4.714 indicates that A2683/0114379 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.13 Ų falls within the moderate polarity range, balancing permeability and solubility for A2683/0114379. Following Lipinski's Rule of Five, A2683/0114379 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 A2683/0114379?
The CAS number of A2683/0114379 is 401822-70-6.
What is the molecular formula of A2683/0114379?
The molecular formula of A2683/0114379 is C23H17FN4O4S2.
What is the molecular weight of A2683/0114379?
The molecular weight of A2683/0114379 is 496.07 g/mol.
Where can I buy A2683/0114379?
You can request a quote for A2683/0114379 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2683/0114379?
Yes, KEHONG BIO provides custom synthesis services for A2683/0114379 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.