2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile
TL;DR: 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile (CAS 23073-04-3) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(4-methoxyphenyl)-4-oxobutanenitrile
Also Known As: 2,4-bis(4-methoxyphenyl)-4-oxobutanenitrile, 2,4-bis(4-methoxyphenyl)-4-oxo-butanenitrile, 2-<4-Methoxy-phenyl>-3-<4-methoxy-benzoyl>-propionitril, Benzenebutanenitrile, 4-methoxy-a-(4-methoxyphenyl)-g-oxo-, benzenebutanenitrile, 4-methoxy-alpha-(4-methoxyphenyl)-gamma-oxo-
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 23073-04-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)OC)C#N |
| InChIKey | SOTWSEPIXMUMOY-UHFFFAOYSA-N |
Product Overview
2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile (CAS 23073-04-3), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: 2,4-bis(4-methoxyphenyl)-4-oxobutanenitrile.
Chemical Property Profile of 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile
Property Insights of 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile. With a topological polar surface area (TPSA) of 59.3 Ų, 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile 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 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile?
The CAS number of 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile is 23073-04-3.
What is the molecular formula of 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile?
The molecular formula of 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile is C18H17NO3.
What is the molecular weight of 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile?
The molecular weight of 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile is 295.12 g/mol.
Where can I buy 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile?
You can request a quote for 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.