![Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/7322/732266-35-2.webp)
Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 732266-35-2) is a chemical compound with molecular formula C27H32N2O5S and molecular weight 496.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C27H32N2O5S |
|---|---|
| Molecular Weight | 496.20 g/mol |
| LogP | 5.78278 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 496.2032 |
| Heavy Atoms | 35 |
| Complexity | 1143.1709 |
Chemical Identifiers
| CAS Number | 732266-35-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C\C3=CC(=C(C=C3)OCCC(C)C)OC)/C#N |
Product Overview
Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 732266-35-2), with molecular formula C27H32N2O5S and molecular weight 496.20 g/mol. IUPAC: ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.78278 indicates that Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 732266-35-2.
What is the molecular formula of Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C27H32N2O5S.
What is the molecular weight of Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 496.20 g/mol.
Where can I buy Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[(Z)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.