ChemDiv1_002399
TL;DR: ChemDiv1_002399 (CAS 5722-69-0) is a chemical compound with molecular formula C23H28BrNO5S and molecular weight 509.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002399, BAS 01052115, 2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylsulfanylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C23H28BrNO5S |
|---|---|
| Molecular Weight | 509.09 g/mol |
| LogP | 4.8176 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.08716 |
| Heavy Atoms | 31 |
| Complexity | 940.13965 |
Chemical Identifiers
| CAS Number | 5722-69-0 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCSCC)C)Br)O |
Product Overview
ChemDiv1_002399 (CAS 5722-69-0), with molecular formula C23H28BrNO5S and molecular weight 509.09 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002399
Property Insights of ChemDiv1_002399
The XLogP value of 4.8176 indicates that ChemDiv1_002399 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002399. Following Lipinski's Rule of Five, ChemDiv1_002399 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002399?
The CAS number of ChemDiv1_002399 is 5722-69-0.
What is the molecular formula of ChemDiv1_002399?
The molecular formula of ChemDiv1_002399 is C23H28BrNO5S.
What is the molecular weight of ChemDiv1_002399?
The molecular weight of ChemDiv1_002399 is 509.09 g/mol.
Where can I buy ChemDiv1_002399?
You can request a quote for ChemDiv1_002399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002399?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.