3,5-Diisopropylpyrocatechol
TL;DR: 3,5-Diisopropylpyrocatechol (CAS 2138-49-0) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-di(propan-2-yl)benzene-1,2-diol
Also Known As: 3,5-Diisopropylcatechol, 3,5-Diisopropylpyrocatechol, 3,5-di(propan-2-yl)benzene-1,2-diol, 3,5-diisopropylbenzene-1,2-diol, 3,5-Diisopropyl-brenzcatechin
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 2138-49-0 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)O)O)C(C)C |
| InChIKey | VMYLKGAEBQHVPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Diisopropylpyrocatechol (CAS 2138-49-0), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 3,5-di(propan-2-yl)benzene-1,2-diol.
Chemical Property Profile of 3,5-Diisopropylpyrocatechol
Property Insights of 3,5-Diisopropylpyrocatechol
The XLogP value of 3.5 indicates that 3,5-Diisopropylpyrocatechol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3,5-Diisopropylpyrocatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Diisopropylpyrocatechol has 2 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 3,5-Diisopropylpyrocatechol?
The CAS number of 3,5-Diisopropylpyrocatechol is 2138-49-0.
What is the molecular formula of 3,5-Diisopropylpyrocatechol?
The molecular formula of 3,5-Diisopropylpyrocatechol is C12H18O2.
What is the molecular weight of 3,5-Diisopropylpyrocatechol?
The molecular weight of 3,5-Diisopropylpyrocatechol is 194.13 g/mol.
Where can I buy 3,5-Diisopropylpyrocatechol?
You can request a quote for 3,5-Diisopropylpyrocatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diisopropylpyrocatechol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diisopropylpyrocatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.