![(E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid structure](/static/products/519/519016-76-3.png)
(E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
TL;DR: (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid (CAS 519016-76-3) is a chemical compound with molecular formula C16H19NO5S and molecular weight 337.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid, (2E)-3-{N-[3-(methoxycarbonyl)(4,5,6,7,8,9-hexahydrocycloocta[1,2-d]thiophen-2 -yl)]carbamoyl}prop-2-enoic acid, (2E)-4-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}-4-oxobut-2-enoic acid, 3-[(11-methoxycarbonyl-9-thiabicyclo[6.3.0]undeca-10,12-dien-10-yl)carbamoyl]prop-2-enoic Acid
| Molecular Formula | C16H19NO5S |
|---|---|
| Molecular Weight | 337.10 g/mol |
| LogP | 2.773 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.0984 |
| Heavy Atoms | 23 |
| Complexity | 647.1409 |
Chemical Identifiers
| CAS Number | 519016-76-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)/C=C/C(=O)O |
Product Overview
(E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid (CAS 519016-76-3), with molecular formula C16H19NO5S and molecular weight 337.10 g/mol. IUPAC: (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Property Insights of (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
The XLogP value of 2.773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid has 2 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 (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid?
The CAS number of (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid is 519016-76-3.
What is the molecular formula of (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid is C16H19NO5S.
What is the molecular weight of (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid is 337.10 g/mol.
Where can I buy (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.