A1722/0073368
TL;DR: A1722/0073368 (CAS 5664-75-5) is a chemical compound with molecular formula C20H24BrNO3S and molecular weight 437.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: A1722/0073368, ethyl 4-(4-bromo-5-methylthien-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, ethyl 4-(4-bromo-5-methyl(2-thienyl))-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahyd roquinoline-3-carboxylate, ethyl 4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C20H24BrNO3S |
|---|---|
| Molecular Weight | 437.07 g/mol |
| LogP | 4.98612 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.06604 |
| Heavy Atoms | 26 |
| Complexity | 827.7378 |
Chemical Identifiers
| CAS Number | 5664-75-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(S3)C)Br)C(=O)CC(C2)(C)C)C |
Product Overview
A1722/0073368 (CAS 5664-75-5), with molecular formula C20H24BrNO3S and molecular weight 437.07 g/mol. IUPAC: ethyl 4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of A1722/0073368
Property Insights of A1722/0073368
The XLogP value of 4.98612 indicates that A1722/0073368 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, A1722/0073368 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1722/0073368 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1722/0073368?
The CAS number of A1722/0073368 is 5664-75-5.
What is the molecular formula of A1722/0073368?
The molecular formula of A1722/0073368 is C20H24BrNO3S.
What is the molecular weight of A1722/0073368?
The molecular weight of A1722/0073368 is 437.07 g/mol.
Where can I buy A1722/0073368?
You can request a quote for A1722/0073368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1722/0073368?
Yes, KEHONG BIO provides custom synthesis services for A1722/0073368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.