![(E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/5158/515849-52-2.webp)
(E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 515849-52-2) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[(2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-{[(E)-3-(1-METHYL-1H-PYRAZOL-4-YL)-2-PROPENOYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-{[3-(1-methyl-1H-pyrazol-4-yl)acryloyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H19N3O3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.7989 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.11472 |
| Heavy Atoms | 24 |
| Complexity | 804.1079 |
Chemical Identifiers
| CAS Number | 515849-52-2 |
|---|---|
| SMILES | CN1C=C(C=N1)/C=C/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
(E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 515849-52-2), with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol. IUPAC: methyl 2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 2.7989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 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)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 515849-52-2.
What is the molecular formula of (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C17H19N3O3S.
What is the molecular weight of (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 345.11 g/mol.
Where can I buy (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(3-(1-methyl-1H-pyrazol-4-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.