ChemDiv1_028705
TL;DR: ChemDiv1_028705 (CAS 370854-73-2) is a chemical compound with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(2-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: ChemDiv1_028705, 2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide, 2-[[3-cyano-4-(2-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide, 2-((3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(m-tolyl)acetamide, 2-{[3-cyano-4-(2-ethoxyphenyl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
| Molecular Formula | C27H27N3O3S |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | 5.1947 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.1773 |
| Heavy Atoms | 34 |
| Complexity | 1225.6212 |
Chemical Identifiers
| CAS Number | 370854-73-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=CC(=C4)C)C#N |
Product Overview
ChemDiv1_028705 (CAS 370854-73-2), with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol. IUPAC: 2-[[3-cyano-4-(2-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of ChemDiv1_028705
Property Insights of ChemDiv1_028705
The XLogP value of 5.1947 indicates that ChemDiv1_028705 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028705. Following Lipinski's Rule of Five, ChemDiv1_028705 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_028705?
The CAS number of ChemDiv1_028705 is 370854-73-2.
What is the molecular formula of ChemDiv1_028705?
The molecular formula of ChemDiv1_028705 is C27H27N3O3S.
What is the molecular weight of ChemDiv1_028705?
The molecular weight of ChemDiv1_028705 is 473.18 g/mol.
Where can I buy ChemDiv1_028705?
You can request a quote for ChemDiv1_028705 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028705?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028705 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.