5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde
TL;DR: 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde (CAS 13010-53-2) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde
Also Known As: 5-(tert-Butyl)-2-hydroxyisophthalaldehyde, 4-tert-Butyl-2,6-diformylphenol, 5-tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde, butylhydroxyisophthalaldehyde, YSZC065
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.3147 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 370.81363 |
Chemical Identifiers
| CAS Number | 13010-53-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C=O)O)C=O |
Product Overview
5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde (CAS 13010-53-2), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 5-tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde.
Chemical Property Profile of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde
Property Insights of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde
The XLogP value of 2.3147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde. With a topological polar surface area (TPSA) of 54.37 Ų, 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde has 1 hydrogen bond donor(s) and 3 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 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde?
The CAS number of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde is 13010-53-2.
What is the molecular formula of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde?
The molecular formula of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde is C12H14O3.
What is the molecular weight of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde?
The molecular weight of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde is 206.09 g/mol.
Where can I buy 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde?
You can request a quote for 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.