RefChem:343706
TL;DR: RefChem:343706 (CAS 438215-40-8) is a chemical compound with molecular formula C25H26BrNO4S and molecular weight 515.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ethyl 4-{4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, Ethyl 4-[4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl]-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-3-quinolinecarboxylate, Ethyl 4-(4-((2-bromophenoxy)methyl)-5-methyl-2-thienyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-3-quinolinecarboxylate, ethyl 4-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, ETHYL 4-{4-[(2-BROMOPHENOXY)METHYL]-5-METHYL-2-THIENYL}-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATE
| Molecular Formula | C25H26BrNO4S |
|---|---|
| Molecular Weight | 515.08 g/mol |
| LogP | 5.92902 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.0766 |
| Heavy Atoms | 32 |
| Complexity | 1130.7118 |
Chemical Identifiers
| CAS Number | 438215-40-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(S3)C)COC4=CC=CC=C4Br)C(=O)CCC2)C |
Product Overview
RefChem:343706 (CAS 438215-40-8), with molecular formula C25H26BrNO4S and molecular weight 515.08 g/mol. IUPAC: ethyl 4-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of RefChem:343706
Property Insights of RefChem:343706
The XLogP value of 5.92902 indicates that RefChem:343706 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 RefChem:343706. Following Lipinski's Rule of Five, RefChem:343706 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 RefChem:343706?
The CAS number of RefChem:343706 is 438215-40-8.
What is the molecular formula of RefChem:343706?
The molecular formula of RefChem:343706 is C25H26BrNO4S.
What is the molecular weight of RefChem:343706?
The molecular weight of RefChem:343706 is 515.08 g/mol.
Where can I buy RefChem:343706?
You can request a quote for RefChem:343706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:343706?
Yes, KEHONG BIO provides custom synthesis services for RefChem:343706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.