ChemDiv1_009394
TL;DR: ChemDiv1_009394 (CAS 369397-69-3) is a chemical compound with molecular formula C26H27N3O3S and molecular weight 461.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: ChemDiv1_009394, AB01306364-01, 2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide, 2-((3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-mesitylacetamide, 2-[[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
| Molecular Formula | C26H27N3O3S |
|---|---|
| Molecular Weight | 461.18 g/mol |
| LogP | 5.31426 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.1773 |
| Heavy Atoms | 33 |
| Complexity | 1222.7087 |
Chemical Identifiers
| CAS Number | 369397-69-3 |
|---|---|
| SMILES | CC1=CC=C(O1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=C(C=C(C=C4C)C)C)C#N |
Product Overview
ChemDiv1_009394 (CAS 369397-69-3), with molecular formula C26H27N3O3S and molecular weight 461.18 g/mol. IUPAC: 2-[[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of ChemDiv1_009394
Property Insights of ChemDiv1_009394
The XLogP value of 5.31426 indicates that ChemDiv1_009394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009394. Following Lipinski's Rule of Five, ChemDiv1_009394 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009394?
The CAS number of ChemDiv1_009394 is 369397-69-3.
What is the molecular formula of ChemDiv1_009394?
The molecular formula of ChemDiv1_009394 is C26H27N3O3S.
What is the molecular weight of ChemDiv1_009394?
The molecular weight of ChemDiv1_009394 is 461.18 g/mol.
Where can I buy ChemDiv1_009394?
You can request a quote for ChemDiv1_009394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009394?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.