3-Benzyl-2-methylbutyraldehyde
TL;DR: 3-Benzyl-2-methylbutyraldehyde (CAS 83498-25-3) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethyl-4-phenylbutanal
Also Known As: 3-Benzyl-2-methylbutyraldehyde, 2,3-dimethyl-4-phenylbutanal, EINECS 280-468-2, alpha,beta-Dimethylbenzenebutanal
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 2.7002 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 253.0868 |
Chemical Identifiers
| CAS Number | 83498-25-3 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)C(C)C=O |
Product Overview
3-Benzyl-2-methylbutyraldehyde (CAS 83498-25-3), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 2,3-dimethyl-4-phenylbutanal.
Chemical Property Profile of 3-Benzyl-2-methylbutyraldehyde
Property Insights of 3-Benzyl-2-methylbutyraldehyde
The XLogP value of 2.7002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-2-methylbutyraldehyde. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Benzyl-2-methylbutyraldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-2-methylbutyraldehyde has 0 hydrogen bond donor(s) and 1 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 3-Benzyl-2-methylbutyraldehyde?
The CAS number of 3-Benzyl-2-methylbutyraldehyde is 83498-25-3.
What is the molecular formula of 3-Benzyl-2-methylbutyraldehyde?
The molecular formula of 3-Benzyl-2-methylbutyraldehyde is C12H16O.
What is the molecular weight of 3-Benzyl-2-methylbutyraldehyde?
The molecular weight of 3-Benzyl-2-methylbutyraldehyde is 176.12 g/mol.
Where can I buy 3-Benzyl-2-methylbutyraldehyde?
You can request a quote for 3-Benzyl-2-methylbutyraldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-2-methylbutyraldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2-methylbutyraldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.