![3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide structure](/static/products/840/840459-54-3.png)
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
TL;DR: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CAS 840459-54-3) is a chemical compound with molecular formula C20H17N3O4S and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
Also Known As: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide, (3-amino-5-oxo(6,7,8-trihydrothiopheno[2,3-b]quinolin-2-yl))-N-(2H-benzo[3,4-d ]1,3-dioxolan-5-ylmethyl)carboxamide, 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide, 3-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
| Molecular Formula | C20H17N3O4S |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 3.0562 |
| Topological Polar Surface Area | 103.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.09396 |
| Heavy Atoms | 28 |
| Complexity | 1138.1715 |
Chemical Identifiers
| CAS Number | 840459-54-3 |
|---|---|
| SMILES | C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NCC4=CC5=C(C=C4)OCO5)N)C(=O)C1 |
Product Overview
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CAS 840459-54-3), with molecular formula C20H17N3O4S and molecular weight 395.09 g/mol. IUPAC: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.
Chemical Property Profile of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Property Insights of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
The XLogP value of 3.0562 indicates that 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide. Following Lipinski's Rule of Five, 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has 2 hydrogen bond donor(s) and 7 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 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The CAS number of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is 840459-54-3.
What is the molecular formula of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The molecular formula of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is C20H17N3O4S.
What is the molecular weight of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The molecular weight of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is 395.09 g/mol.
Where can I buy 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
You can request a quote for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.