2-Isopropyl-5-methylbenzaldehyde
TL;DR: 2-Isopropyl-5-methylbenzaldehyde (CAS 33731-13-4) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-propan-2-ylbenzaldehyde
Also Known As: Cymal, 2-Isopropyl-5-methylbenzaldehyde, Benzaldehyde,5-methyl-2- -, 2-Isopropyl-5-methylbenzaldehyd, 5-methyl-2-propan-2-ylbenzaldehyde
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.93092 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 287.05563 |
Chemical Identifiers
| CAS Number | 33731-13-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)C=O |
Product Overview
2-Isopropyl-5-methylbenzaldehyde (CAS 33731-13-4), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 5-methyl-2-propan-2-ylbenzaldehyde.
Chemical Property Profile of 2-Isopropyl-5-methylbenzaldehyde
Property Insights of 2-Isopropyl-5-methylbenzaldehyde
The XLogP value of 2.93092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropyl-5-methylbenzaldehyde. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Isopropyl-5-methylbenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-5-methylbenzaldehyde 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 2-Isopropyl-5-methylbenzaldehyde?
The CAS number of 2-Isopropyl-5-methylbenzaldehyde is 33731-13-4.
What is the molecular formula of 2-Isopropyl-5-methylbenzaldehyde?
The molecular formula of 2-Isopropyl-5-methylbenzaldehyde is C11H14O.
What is the molecular weight of 2-Isopropyl-5-methylbenzaldehyde?
The molecular weight of 2-Isopropyl-5-methylbenzaldehyde is 162.10 g/mol.
Where can I buy 2-Isopropyl-5-methylbenzaldehyde?
You can request a quote for 2-Isopropyl-5-methylbenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-5-methylbenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-methylbenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.