![2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate structure](/static/products/853/853724-06-8.png)
2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate
TL;DR: 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate (CAS 853724-06-8) is a chemical compound with molecular formula C21H20N4O5S and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
Also Known As: 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate, (3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoylmethyl 2-(4-oxoquinazolin-3-yl)acetate, [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
| Molecular Formula | C21H20N4O5S |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 1.6176 |
| Topological Polar Surface Area | 133.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.11545 |
| Heavy Atoms | 31 |
| Complexity | 1246.2863 |
Chemical Identifiers
| CAS Number | 853724-06-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)CN3C=NC4=CC=CC=C4C3=O)C(=O)N |
Product Overview
2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate (CAS 853724-06-8), with molecular formula C21H20N4O5S and molecular weight 440.12 g/mol. IUPAC: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
Chemical Property Profile of 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate
Property Insights of 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate
The XLogP value of 1.6176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate. The TPSA of 133.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate. Following Lipinski's Rule of Five, 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate 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 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate?
The CAS number of 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate is 853724-06-8.
What is the molecular formula of 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate?
The molecular formula of 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate is C21H20N4O5S.
What is the molecular weight of 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate?
The molecular weight of 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate is 440.12 g/mol.
Where can I buy 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate?
You can request a quote for 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-(Aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-2-oxoethyl 4-oxo-3(4H)-quinazolineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.