MixCom6_000126
TL;DR: MixCom6_000126 (CAS 347353-36-0) is a chemical compound with molecular formula C24H30BrNO4S and molecular weight 507.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: MixCom6_000126, ChemDiv1_015966, 2-(ethylsulfanyl)ethyl 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylthio)ethyl 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylsulfanylethyl 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C24H30BrNO4S |
|---|---|
| Molecular Weight | 507.11 g/mol |
| LogP | 5.358 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.10788 |
| Heavy Atoms | 31 |
| Complexity | 950.8977 |
Chemical Identifiers
| CAS Number | 347353-36-0 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)Br)C(=O)CC(C2)(C)C)C |
Product Overview
MixCom6_000126 (CAS 347353-36-0), with molecular formula C24H30BrNO4S and molecular weight 507.11 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of MixCom6_000126
Property Insights of MixCom6_000126
The XLogP value of 5.358 indicates that MixCom6_000126 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_000126. Following Lipinski's Rule of Five, MixCom6_000126 has 1 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 MixCom6_000126?
The CAS number of MixCom6_000126 is 347353-36-0.
What is the molecular formula of MixCom6_000126?
The molecular formula of MixCom6_000126 is C24H30BrNO4S.
What is the molecular weight of MixCom6_000126?
The molecular weight of MixCom6_000126 is 507.11 g/mol.
Where can I buy MixCom6_000126?
You can request a quote for MixCom6_000126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_000126?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_000126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.