beta-Cyclocitral
TL;DR: beta-Cyclocitral (CAS 432-25-7) 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.
2,6,6-trimethylcyclohexene-1-carbaldehyde
Also Known As: beta-Cyclocitral, b-cyclocitral, A-Cyclocitral, ss-Cyclocitral, .beta.-Cyclocitral
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 199.0 |
| Boiling Point | 62.00 to 63.00 °C. @ 3.00 mm Hg |
Chemical Identifiers
| CAS Number | 432-25-7 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=O |
| InChIKey | MOQGCGNUWBPGTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Cyclocitral (CAS 432-25-7), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 2,6,6-trimethylcyclohexene-1-carbaldehyde.
Chemical Property Profile of beta-Cyclocitral
Property Insights of beta-Cyclocitral
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Cyclocitral. With a topological polar surface area (TPSA) of 17.1 Ų, beta-Cyclocitral exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Cyclocitral 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 beta-Cyclocitral?
The CAS number of beta-Cyclocitral is 432-25-7.
What is the molecular formula of beta-Cyclocitral?
The molecular formula of beta-Cyclocitral is C10H16O.
What is the molecular weight of beta-Cyclocitral?
The molecular weight of beta-Cyclocitral is 152.12 g/mol.
Where can I buy beta-Cyclocitral?
You can request a quote for beta-Cyclocitral directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Cyclocitral?
Yes, KEHONG BIO provides custom synthesis services for beta-Cyclocitral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.