Myrtenal
TL;DR: Myrtenal (CAS 564-94-3) 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.
6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
Also Known As: Myrtenal, Benihinal, (1R)-(-)-Myrtenal, D-myrtenal, (-)-Myrtenal
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 564-94-3 |
|---|---|
| SMILES | CC1(C2CC=C(C1C2)C=O)C |
| InChIKey | KMRMUZKLFIEVAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Myrtenal (CAS 564-94-3), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde.
Chemical Property Profile of Myrtenal
Property Insights of Myrtenal
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Myrtenal. With a topological polar surface area (TPSA) of 17.1 Ų, Myrtenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Myrtenal 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 Myrtenal?
The CAS number of Myrtenal is 564-94-3.
What is the molecular formula of Myrtenal?
The molecular formula of Myrtenal is C10H14O.
What is the molecular weight of Myrtenal?
The molecular weight of Myrtenal is 150.10 g/mol.
Where can I buy Myrtenal?
You can request a quote for Myrtenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myrtenal?
Yes, KEHONG BIO provides custom synthesis services for Myrtenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.