(E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate
TL;DR: (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate (CAS 327075-78-5) is a chemical compound with molecular formula C29H30N2O5S and molecular weight 518.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
Also Known As: (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate, ethyl 2-({(2E)-2-cyano-3-[4-(pentyloxy)phenyl]prop-2-enoyl}amino)-4-(4-methoxyphenyl)thiophene-3-carboxylate, ethyl 2-[(2E)-2-cyano-3-(4-pentyloxyphenyl)prop-2-enoylamino]-4-(4-methoxyphen yl)thiophene-3-carboxylate, ethyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
| Molecular Formula | C29H30N2O5S |
|---|---|
| Molecular Weight | 518.19 g/mol |
| LogP | 6.71508 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 518.18756 |
| Heavy Atoms | 37 |
| Complexity | 1271.121 |
Chemical Identifiers
| CAS Number | 327075-78-5 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)OCC |
Product Overview
(E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate (CAS 327075-78-5), with molecular formula C29H30N2O5S and molecular weight 518.19 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate
Property Insights of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate
The XLogP value of 6.71508 indicates that (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-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 (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-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 (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate?
The CAS number of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate is 327075-78-5.
What is the molecular formula of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate?
The molecular formula of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate is C29H30N2O5S.
What is the molecular weight of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate?
The molecular weight of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate is 518.19 g/mol.
Where can I buy (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate?
You can request a quote for (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)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)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.