![2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)- structure](/static/products/4200/420089-92-5.webp)
2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)-
TL;DR: 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)- (CAS 420089-92-5) is a chemical compound with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)-, 4-{[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino}-4-oxo-2-butenoic acid, 3-[(11-carbamoyl-9-thiabicyclo[6.3.0]undeca-10,12-dien-10-yl)carbamoyl]prop-2-enoic Acid, (2E)-3-[N-(3-carbamoyl(4,5,6,7,8,9-hexahydrocycloocta[1,2-d]thiophen-2-yl))car bamoyl]prop-2-enoic acid, (2E)-4-[(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C15H18N2O4S |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 2.0853 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.09872 |
| Heavy Atoms | 22 |
| Complexity | 633.7321 |
Chemical Identifiers
| CAS Number | 420089-92-5 |
|---|---|
| SMILES | C1CCCC2=C(CC1)C(=C(S2)NC(=O)/C=C/C(=O)O)C(=O)N |
Product Overview
2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)- (CAS 420089-92-5), with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol. IUPAC: (E)-4-[(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)-
Property Insights of 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)-
The XLogP value of 2.0853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)-. The TPSA of 109.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)-. Following Lipinski's Rule of Five, 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)- has 3 hydrogen bond donor(s) and 4 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-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)-?
The CAS number of 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)- is 420089-92-5.
What is the molecular formula of 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)-?
The molecular formula of 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)- is C15H18N2O4S.
What is the molecular weight of 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)-?
The molecular weight of 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)- is 322.10 g/mol.
Where can I buy 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)-?
You can request a quote for 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-butenoic acid, 4-[[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino]-4-oxo-, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.