![1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile structure](/static/products/849/849920-67-8.png)
1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile
TL;DR: 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile (CAS 849920-67-8) is a chemical compound with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile
Also Known As: 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile, 1-(1,1-dioxo-1lambda6-thiolan-3-yl)-4-methyl-2,6-dioxo-5-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-1,2,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C21H20N2O5S |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 2.03078 |
| Topological Polar Surface Area | 104.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.10928 |
| Heavy Atoms | 29 |
| Complexity | 1075.0634 |
Chemical Identifiers
| CAS Number | 849920-67-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=O)C1=CC2=CC=C(C=C2)OCC=C)C3CCS(=O)(=O)C3)C#N |
Product Overview
1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile (CAS 849920-67-8), with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile.
Chemical Property Profile of 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile
Property Insights of 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile
The XLogP value of 2.03078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile. The TPSA of 104.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 6 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 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile?
The CAS number of 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile is 849920-67-8.
What is the molecular formula of 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile?
The molecular formula of 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile is C21H20N2O5S.
What is the molecular weight of 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile?
The molecular weight of 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile is 412.11 g/mol.
Where can I buy 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile?
You can request a quote for 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-prop-2-enoxyphenyl)methylidene]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.