![4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile structure](/static/products/3069/306979-63-5.webp)
4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile
TL;DR: 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile (CAS 306979-63-5) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile
Also Known As: 4-[5-(dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile, 4-(5-dimethylamino-3-oxo-pent-4-en-2-yl)oxybenzonitrile, 4-{[4-(dimethylamino)-1-methyl-2-oxo-3-butenyl]oxy}benzenecarbonitrile
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 1.96998 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 469.5625 |
Chemical Identifiers
| CAS Number | 306979-63-5 |
|---|---|
| SMILES | CC(C(=O)C=CN(C)C)OC1=CC=C(C=C1)C#N |
Product Overview
4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile (CAS 306979-63-5), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 4-[5-(dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile.
Chemical Property Profile of 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile
Property Insights of 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile
The XLogP value of 1.96998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile. With a topological polar surface area (TPSA) of 53.33 Ų, 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile has 0 hydrogen bond donor(s) and 4 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 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile?
The CAS number of 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile is 306979-63-5.
What is the molecular formula of 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile?
The molecular formula of 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile is C14H16N2O2.
What is the molecular weight of 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile?
The molecular weight of 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile is 244.12 g/mol.
Where can I buy 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile?
You can request a quote for 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-(Dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.