4-Cyano-2-Methyl-2-Phenylbutyraldehyde
TL;DR: 4-Cyano-2-Methyl-2-Phenylbutyraldehyde (CAS 197311-01-6) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-oxo-4-phenylpentanenitrile
Also Known As: 4-Formyl-4-phenylpentanenitrile, 4-methyl-5-oxo-4-phenylpentanenitrile, 4-methyl-5-oxo-4-phenyl-pentanenitrile, 4-CYANO-2-METHYL-2-PHENYLBUTYRALDEHYDE, 107-124-5
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.44698 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 339.08942 |
Chemical Identifiers
| CAS Number | 197311-01-6 |
|---|---|
| SMILES | CC(CCC#N)(C=O)C1=CC=CC=C1 |
Product Overview
4-Cyano-2-Methyl-2-Phenylbutyraldehyde (CAS 197311-01-6), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 4-methyl-5-oxo-4-phenylpentanenitrile.
Chemical Property Profile of 4-Cyano-2-Methyl-2-Phenylbutyraldehyde
Property Insights of 4-Cyano-2-Methyl-2-Phenylbutyraldehyde
The XLogP value of 2.44698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-2-Methyl-2-Phenylbutyraldehyde. With a topological polar surface area (TPSA) of 40.86 Ų, 4-Cyano-2-Methyl-2-Phenylbutyraldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-2-Methyl-2-Phenylbutyraldehyde has 0 hydrogen bond donor(s) and 2 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-Cyano-2-Methyl-2-Phenylbutyraldehyde?
The CAS number of 4-Cyano-2-Methyl-2-Phenylbutyraldehyde is 197311-01-6.
What is the molecular formula of 4-Cyano-2-Methyl-2-Phenylbutyraldehyde?
The molecular formula of 4-Cyano-2-Methyl-2-Phenylbutyraldehyde is C12H13NO.
What is the molecular weight of 4-Cyano-2-Methyl-2-Phenylbutyraldehyde?
The molecular weight of 4-Cyano-2-Methyl-2-Phenylbutyraldehyde is 187.10 g/mol.
Where can I buy 4-Cyano-2-Methyl-2-Phenylbutyraldehyde?
You can request a quote for 4-Cyano-2-Methyl-2-Phenylbutyraldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-2-Methyl-2-Phenylbutyraldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-2-Methyl-2-Phenylbutyraldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.