![methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/3804/380424-55-5.webp)
methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 380424-55-5) is a chemical compound with molecular formula C26H30N2O5S and molecular weight 482.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, (E)-methyl 2-(2-cyano-3-(3-methoxy-4-(pentyloxy)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(2E)-2-cyano-3-(3-methoxy-4-pentyloxyphenyl)prop-2-enoylamino]-4,5,6 ,7-tetrahydrobenzo[b]thiophene-3-carboxylate, Methyl 2-[(2E)-2-cyano-3-(3-methoxy-4-pentyloxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-{2-cyano-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C26H30N2O5S |
|---|---|
| Molecular Weight | 482.19 g/mol |
| LogP | 5.53678 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 482.18753 |
| Heavy Atoms | 34 |
| Complexity | 1113.1248 |
Chemical Identifiers
| CAS Number | 380424-55-5 |
|---|---|
| SMILES | CCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC |
Product Overview
methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 380424-55-5), with molecular formula C26H30N2O5S and molecular weight 482.19 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.53678 indicates that methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)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 methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)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 methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 380424-55-5.
What is the molecular formula of methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C26H30N2O5S.
What is the molecular weight of methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 482.19 g/mol.
Where can I buy methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)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 methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)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.