3-Tert-butyl-5-methylbenzaldehyde
TL;DR: 3-Tert-butyl-5-methylbenzaldehyde (CAS 87239-90-5) 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.
3-tert-butyl-5-methylbenzaldehyde
Also Known As: 5-tert-butyl-3-methylbenzaldehyde, 3-tert-Butyl-5-methylbenzaldehyde, 3-methyl-5-tert-butyl-benzaldehyde, 3-(tert-butyl)-5-methylbenzaldehyde, J2.779.591I
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.10502 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 318.38663 |
Chemical Identifiers
| CAS Number | 87239-90-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(C)(C)C)C=O |
Product Overview
3-Tert-butyl-5-methylbenzaldehyde (CAS 87239-90-5), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 3-tert-butyl-5-methylbenzaldehyde.
Chemical Property Profile of 3-Tert-butyl-5-methylbenzaldehyde
Property Insights of 3-Tert-butyl-5-methylbenzaldehyde
The XLogP value of 3.10502 indicates that 3-Tert-butyl-5-methylbenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Tert-butyl-5-methylbenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-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 3-Tert-butyl-5-methylbenzaldehyde?
The CAS number of 3-Tert-butyl-5-methylbenzaldehyde is 87239-90-5.
What is the molecular formula of 3-Tert-butyl-5-methylbenzaldehyde?
The molecular formula of 3-Tert-butyl-5-methylbenzaldehyde is C12H16O.
What is the molecular weight of 3-Tert-butyl-5-methylbenzaldehyde?
The molecular weight of 3-Tert-butyl-5-methylbenzaldehyde is 176.12 g/mol.
Where can I buy 3-Tert-butyl-5-methylbenzaldehyde?
You can request a quote for 3-Tert-butyl-5-methylbenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butyl-5-methylbenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-5-methylbenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.