ChemDiv1_008136
TL;DR: ChemDiv1_008136 (CAS 347352-60-7) is a chemical compound with molecular formula C24H30BrNO5S and molecular weight 523.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_008136, DivK1c_002776, CDS1_001736, 2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylthio)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C24H30BrNO5S |
|---|---|
| Molecular Weight | 523.10 g/mol |
| LogP | 5.0636 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.1028 |
| Heavy Atoms | 32 |
| Complexity | 998.3489 |
Chemical Identifiers
| CAS Number | 347352-60-7 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)(C)C)C |
Product Overview
ChemDiv1_008136 (CAS 347352-60-7), with molecular formula C24H30BrNO5S and molecular weight 523.10 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_008136
Property Insights of ChemDiv1_008136
The XLogP value of 5.0636 indicates that ChemDiv1_008136 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_008136. Following Lipinski's Rule of Five, ChemDiv1_008136 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_008136?
The CAS number of ChemDiv1_008136 is 347352-60-7.
What is the molecular formula of ChemDiv1_008136?
The molecular formula of ChemDiv1_008136 is C24H30BrNO5S.
What is the molecular weight of ChemDiv1_008136?
The molecular weight of ChemDiv1_008136 is 523.10 g/mol.
Where can I buy ChemDiv1_008136?
You can request a quote for ChemDiv1_008136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008136?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.