![1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea structure](/static/products/4382/438231-49-3.webp)
1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea
TL;DR: 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea (CAS 438231-49-3) is a chemical compound with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea
Also Known As: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea, 2-{[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}-N-ethylhydrazinecarbothioamide, 2-{[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonyl}-N-ethylhydrazinecarbothioamide, (2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(4-quinolyl))-N-{[(ethylamino)thioxomethy l]amino}carboxamide
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 2.7593 |
| Topological Polar Surface Area | 84.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 1070.5002 |
Chemical Identifiers
| CAS Number | 438231-49-3 |
|---|---|
| SMILES | CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4 |
Product Overview
1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea (CAS 438231-49-3), with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol. IUPAC: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea.
Chemical Property Profile of 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea
Property Insights of 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea
The XLogP value of 2.7593 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea. The TPSA of 84.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea. Following Lipinski's Rule of Five, 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea has 3 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 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea?
The CAS number of 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea is 438231-49-3.
What is the molecular formula of 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea?
The molecular formula of 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea is C20H18N4O3S.
What is the molecular weight of 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea?
The molecular weight of 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea is 394.11 g/mol.
Where can I buy 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea?
You can request a quote for 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[[2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.