Isocarvacrol
TL;DR: Isocarvacrol (CAS 1740-97-2) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-propan-2-ylphenol
Also Known As: 4-Isopropyl-2-methylphenol, 4-Isopropyl-o-cresol, Isocarvacrol, 2-methyl-4-propan-2-ylphenol, 4-Isopropyl-2-methyl-phenol
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 1740-97-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C)C)O |
| InChIKey | WYXXLXHHWYNKJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isocarvacrol (CAS 1740-97-2), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 2-methyl-4-propan-2-ylphenol.
Chemical Property Profile of Isocarvacrol
Property Insights of Isocarvacrol
The XLogP value of 3.1 indicates that Isocarvacrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Isocarvacrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocarvacrol has 1 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 Isocarvacrol?
The CAS number of Isocarvacrol is 1740-97-2.
What is the molecular formula of Isocarvacrol?
The molecular formula of Isocarvacrol is C10H14O.
What is the molecular weight of Isocarvacrol?
The molecular weight of Isocarvacrol is 150.10 g/mol.
Where can I buy Isocarvacrol?
You can request a quote for Isocarvacrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocarvacrol?
Yes, KEHONG BIO provides custom synthesis services for Isocarvacrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.