3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde
TL;DR: 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde (CAS 831239-77-1) is a chemical compound with molecular formula C15H18O2 and molecular weight 230.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde
Also Known As: 3-tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde, 3-(TERT-BUTYL)-5-METHYL-2-(2-PROPYN-1-YLOXY)-BENZALDEHYDE, 3-tert-Butyl-5-methyl-2-[(prop-2-yn-1-yl)oxy]benzaldehyde
| Molecular Formula | C15H18O2 |
|---|---|
| Molecular Weight | 230.13 g/mol |
| LogP | 3.11702 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.13068 |
| Heavy Atoms | 17 |
| Complexity | 459.03577 |
Chemical Identifiers
| CAS Number | 831239-77-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)OCC#C)C=O |
Product Overview
3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde (CAS 831239-77-1), with molecular formula C15H18O2 and molecular weight 230.13 g/mol. IUPAC: 3-tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde.
Chemical Property Profile of 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde
Property Insights of 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde
The XLogP value of 3.11702 indicates that 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde 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 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde?
The CAS number of 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde is 831239-77-1.
What is the molecular formula of 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde?
The molecular formula of 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde is C15H18O2.
What is the molecular weight of 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde?
The molecular weight of 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde is 230.13 g/mol.
Where can I buy 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde?
You can request a quote for 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde 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-methyl-2-prop-2-ynoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.