![(2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide structure](/static/products/469/469875-95-4.png)
(2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
TL;DR: (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide (CAS 469875-95-4) is a chemical compound with molecular formula C27H26N2O3S and molecular weight 458.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
Also Known As: (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide, (2E)-N-(3-cyano-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-3-[3-methox y-4-(phenylmethoxy)phenyl]prop-2-enamide, (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acrylamide, (E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
| Molecular Formula | C27H26N2O3S |
|---|---|
| Molecular Weight | 458.17 g/mol |
| LogP | 5.98408 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.1664 |
| Heavy Atoms | 33 |
| Complexity | 1208.0947 |
Chemical Identifiers
| CAS Number | 469875-95-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)/C=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC |
Product Overview
(2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide (CAS 469875-95-4), with molecular formula C27H26N2O3S and molecular weight 458.17 g/mol. IUPAC: (E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide.
Chemical Property Profile of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
Property Insights of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
The XLogP value of 5.98408 indicates that (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide?
The CAS number of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is 469875-95-4.
What is the molecular formula of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide?
The molecular formula of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is C27H26N2O3S.
What is the molecular weight of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide?
The molecular weight of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is 458.17 g/mol.
Where can I buy (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide?
You can request a quote for (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.