![(E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/3797/379714-54-2.webp)
(E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 379714-54-2) is a chemical compound with molecular formula C24H27N3O3S and molecular weight 437.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F1305-0071, methyl 2-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-({(2E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C24H27N3O3S |
|---|---|
| Molecular Weight | 437.18 g/mol |
| LogP | 4.80538 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.1773 |
| Heavy Atoms | 31 |
| Complexity | 1027.5743 |
Chemical Identifiers
| CAS Number | 379714-54-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
(E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 379714-54-2), with molecular formula C24H27N3O3S and molecular weight 437.18 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 4.80538 indicates that (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)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 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 379714-54-2.
What is the molecular formula of (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C24H27N3O3S.
What is the molecular weight of (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 437.18 g/mol.
Where can I buy (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)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-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.