Phellandral
TL;DR: Phellandral (CAS 21391-98-0) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylcyclohexene-1-carbaldehyde
Also Known As: Phellandral, p-menth-1-en-7-al, (S)-Phellandral, (+-)-Phellandral, 4-Isopropylcyclohexenecarbaldehyde
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 21391-98-0 |
|---|---|
| SMILES | CC(C)C1CCC(=CC1)C=O |
| InChIKey | AEVLWICMAHGAMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phellandral (CAS 21391-98-0), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 4-propan-2-ylcyclohexene-1-carbaldehyde.
Chemical Property Profile of Phellandral
Property Insights of Phellandral
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phellandral. With a topological polar surface area (TPSA) of 17.1 Ų, Phellandral exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phellandral 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 Phellandral?
The CAS number of Phellandral is 21391-98-0.
What is the molecular formula of Phellandral?
The molecular formula of Phellandral is C10H16O.
What is the molecular weight of Phellandral?
The molecular weight of Phellandral is 152.12 g/mol.
Where can I buy Phellandral?
You can request a quote for Phellandral directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phellandral?
Yes, KEHONG BIO provides custom synthesis services for Phellandral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.