![butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate structure](/static/products/442/442556-31-2.png)
butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
TL;DR: butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate (CAS 442556-31-2) is a chemical compound with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-amino-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylate
Also Known As: butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate, BUTYL 3-AMINO-7,7-DIMETHYL-5-OXO-5H,6H,7H,8H-THIENO[2,3-B]QUINOLINE-2-CARBOXYLATE, butyl 3-amino-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylate
| Molecular Formula | C18H22N2O3S |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 3.9905 |
| Topological Polar Surface Area | 82.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1351 |
| Heavy Atoms | 24 |
| Complexity | 823.2685 |
Chemical Identifiers
| CAS Number | 442556-31-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C2=CC3=C(CC(CC3=O)(C)C)N=C2S1)N |
Product Overview
butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate (CAS 442556-31-2), with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol. IUPAC: butyl 3-amino-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylate.
Chemical Property Profile of butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
Property Insights of butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
The XLogP value of 3.9905 indicates that butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.28 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate. Following Lipinski's Rule of Five, butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate has 1 hydrogen bond donor(s) and 6 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 butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The CAS number of butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is 442556-31-2.
What is the molecular formula of butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The molecular formula of butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is C18H22N2O3S.
What is the molecular weight of butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The molecular weight of butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is 346.14 g/mol.
Where can I buy butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
You can request a quote for butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for butyl 3-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.