![ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate structure](/static/products/3270/327063-40-1.webp)
ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate
TL;DR: ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate (CAS 327063-40-1) is a chemical compound with molecular formula C27H24ClN3O3S and molecular weight 505.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-benzyl-2-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate, ethyl 6-benzyl-2-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate, ethyl 6-benzyl-2-[3-(4-chlorophenyl)-2-cyanoprop-2-enamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C27H24ClN3O3S |
|---|---|
| Molecular Weight | 505.12 g/mol |
| LogP | 5.68218 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.12268 |
| Heavy Atoms | 35 |
| Complexity | 1293.7008 |
Chemical Identifiers
| CAS Number | 327063-40-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)/C(=C/C4=CC=C(C=C4)Cl)/C#N |
Product Overview
ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate (CAS 327063-40-1), with molecular formula C27H24ClN3O3S and molecular weight 505.12 g/mol. IUPAC: ethyl 6-benzyl-2-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate
Property Insights of ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate
The XLogP value of 5.68218 indicates that ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-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 ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate?
The CAS number of ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate is 327063-40-1.
What is the molecular formula of ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate?
The molecular formula of ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate is C27H24ClN3O3S.
What is the molecular weight of ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate?
The molecular weight of ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate is 505.12 g/mol.
Where can I buy ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate?
You can request a quote for ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-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-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-6-benzyl-4,5,6,7-te trahydrothiopheno[2,3-c]pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.