![benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester structure](/static/products/3550/355000-59-8.webp)
benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester
TL;DR: benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester (CAS 355000-59-8) 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-oxo-4-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]but-2-enoic acid
Also Known As: benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester, (2E)-4-[[3-(ISOPROPOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL]AMINO]-4-OXOBUT-2-ENOIC ACID, (2E)-4-oxo-4-({3-[(propan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)but-2-enoic acid, (E)-4-oxo-4-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]but-2-enoic acid, 4-{[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxo-2-butenoic acid
| Molecular Formula | C16H19NO5S |
|---|---|
| Molecular Weight | 337.10 g/mol |
| LogP | 2.7714 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.0984 |
| Heavy Atoms | 23 |
| Complexity | 659.67303 |
Chemical Identifiers
| CAS Number | 355000-59-8 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C/C(=O)O |
Product Overview
benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester (CAS 355000-59-8), with molecular formula C16H19NO5S and molecular weight 337.10 g/mol. IUPAC: (E)-4-oxo-4-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]but-2-enoic acid.
Chemical Property Profile of benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester
Property Insights of benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester
The XLogP value of 2.7714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester. Following Lipinski's Rule of Five, benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester 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 benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester?
The CAS number of benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester is 355000-59-8.
What is the molecular formula of benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester?
The molecular formula of benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester is C16H19NO5S.
What is the molecular weight of benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester?
The molecular weight of benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester is 337.10 g/mol.
Where can I buy benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester?
You can request a quote for benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.