![(E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid structure](/static/products/355/355830-88-5.png)
(E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
TL;DR: (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid (CAS 355830-88-5) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid, (2E)-3-[N-(3-carbamoyl(4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl))car bamoyl]prop-2-enoic acid, (2E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid, 4-{[3-(aminocarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}-4-oxo-2-butenoic acid
| Molecular Formula | C14H16N2O4S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 1.6952 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.08307 |
| Heavy Atoms | 21 |
| Complexity | 618.73535 |
Chemical Identifiers
| CAS Number | 355830-88-5 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)/C=C/C(=O)O |
Product Overview
(E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid (CAS 355830-88-5), with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol. IUPAC: (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Property Insights of (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
The XLogP value of 1.6952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid. The TPSA of 109.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid 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 (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid?
The CAS number of (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid is 355830-88-5.
What is the molecular formula of (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid is C14H16N2O4S.
What is the molecular weight of (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid is 308.08 g/mol.
Where can I buy (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[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-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.