![(E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/499/499211-90-4.png)
(E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 499211-90-4) is a chemical compound with molecular formula C27H26N2O3S and molecular weight 458.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, butyl 2-((2E)-2-cyano-3-naphthylprop-2-enoylamino)-4,5,6,7-tetrahydrobenzo[b]t hiophene-3-carboxylate, butyl 2-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, butyl 2-{[(2E)-2-cyano-3-(naphthalen-1-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C27H26N2O3S |
|---|---|
| Molecular Weight | 458.17 g/mol |
| LogP | 6.28268 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.1664 |
| Heavy Atoms | 33 |
| Complexity | 1260.8474 |
Chemical Identifiers
| CAS Number | 499211-90-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=CC4=CC=CC=C43)/C#N |
Product Overview
(E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 499211-90-4), with molecular formula C27H26N2O3S and molecular weight 458.17 g/mol. IUPAC: butyl 2-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 6.28268 indicates that (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 499211-90-4.
What is the molecular formula of (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C27H26N2O3S.
What is the molecular weight of (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 458.17 g/mol.
Where can I buy (E)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (E)-butyl 2-(2-cyano-3-(naphthalen-1-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)-butyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-butyl 2-(2-cyano-3-(naphthalen-1-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.