F3129-0095
TL;DR: F3129-0095 (CAS 489425-76-5) is a chemical compound with molecular formula C27H26FN3O5S and molecular weight 523.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: F3129-0095, 2-{[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide, 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(4-fluorophenyl)acetamide, 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide, 2-{[3-cyano-5-hydroxy-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
| Molecular Formula | C27H26FN3O5S |
|---|---|
| Molecular Weight | 523.16 g/mol |
| LogP | 4.65248 |
| Topological Polar Surface Area | 109.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 523.1577 |
| Heavy Atoms | 37 |
| Complexity | 1305.5374 |
Chemical Identifiers
| CAS Number | 489425-76-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=C(C=C4)F)C#N |
Product Overview
F3129-0095 (CAS 489425-76-5), with molecular formula C27H26FN3O5S and molecular weight 523.16 g/mol. IUPAC: 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of F3129-0095
Property Insights of F3129-0095
The XLogP value of 4.65248 indicates that F3129-0095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.68 Ų falls within the moderate polarity range, balancing permeability and solubility for F3129-0095. Following Lipinski's Rule of Five, F3129-0095 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3129-0095?
The CAS number of F3129-0095 is 489425-76-5.
What is the molecular formula of F3129-0095?
The molecular formula of F3129-0095 is C27H26FN3O5S.
What is the molecular weight of F3129-0095?
The molecular weight of F3129-0095 is 523.16 g/mol.
Where can I buy F3129-0095?
You can request a quote for F3129-0095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3129-0095?
Yes, KEHONG BIO provides custom synthesis services for F3129-0095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.