ChemDiv1_008400
TL;DR: ChemDiv1_008400 (CAS 347353-48-4) is a chemical compound with molecular formula C25H32ClNO5S and molecular weight 493.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_008400, DivK1c_003040, CDS1_002000, 2-(ethylsulfanyl)ethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylthio)ethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C25H32ClNO5S |
|---|---|
| Molecular Weight | 493.17 g/mol |
| LogP | 5.3446 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.16898 |
| Heavy Atoms | 33 |
| Complexity | 1014.2948 |
Chemical Identifiers
| CAS Number | 347353-48-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCSCC)C)Cl)O |
Product Overview
ChemDiv1_008400 (CAS 347353-48-4), with molecular formula C25H32ClNO5S and molecular weight 493.17 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_008400
Property Insights of ChemDiv1_008400
The XLogP value of 5.3446 indicates that ChemDiv1_008400 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_008400. Following Lipinski's Rule of Five, ChemDiv1_008400 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_008400?
The CAS number of ChemDiv1_008400 is 347353-48-4.
What is the molecular formula of ChemDiv1_008400?
The molecular formula of ChemDiv1_008400 is C25H32ClNO5S.
What is the molecular weight of ChemDiv1_008400?
The molecular weight of ChemDiv1_008400 is 493.17 g/mol.
Where can I buy ChemDiv1_008400?
You can request a quote for ChemDiv1_008400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008400?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.