![(2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one structure](/static/products/892/892622-96-7.png)
(2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one
TL;DR: (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one (CAS 892622-96-7) is a chemical compound with molecular formula C21H26N4O3 and molecular weight 382.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dimethoxyphenyl)-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylprop-2-en-1-one
Also Known As: (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one, (E)-3-(3,4-dimethoxyphenyl)-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one, (E)-3-(3,4-dimethoxyphenyl)-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylprop-2-en-1-one
| Molecular Formula | C21H26N4O3 |
|---|---|
| Molecular Weight | 382.20 g/mol |
| LogP | 2.1037 |
| Topological Polar Surface Area | 79.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.2005 |
| Heavy Atoms | 28 |
| Complexity | 881.5259 |
Chemical Identifiers
| CAS Number | 892622-96-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)N2CCC3(CC2)C4=C(CCN3)NC=N4)OC |
Product Overview
(2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one (CAS 892622-96-7), with molecular formula C21H26N4O3 and molecular weight 382.20 g/mol. IUPAC: (E)-3-(3,4-dimethoxyphenyl)-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylprop-2-en-1-one.
Chemical Property Profile of (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one
Property Insights of (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one
The XLogP value of 2.1037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one. The TPSA of 79.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one?
The CAS number of (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one is 892622-96-7.
What is the molecular formula of (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one?
The molecular formula of (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one is C21H26N4O3.
What is the molecular weight of (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one?
The molecular weight of (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one is 382.20 g/mol.
Where can I buy (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one?
You can request a quote for (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(3,4-dimethoxyphenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.