番红花醛
TL;DR: 番红花醛 (CAS 116-26-7) 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.
番红花醛
2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
Also Known As: Safranal, Dehydro-beta-cyclocitral, 2,3-Dihydro-2,2,6-trimethylbenzaldehyde, Safranal;, Safranal (>80%)
| 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 | 231.0 |
| Melting Point | < 25 °C |
| Boiling Point | 70.00 °C. @ 1.00 mm Hg |
| Density | 0.968-0.980 (20°) |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.525-1.533 |
Chemical Identifiers
| CAS Number | 116-26-7 |
|---|---|
| SMILES | CC1=C(C(CC=C1)(C)C)C=O |
| InChIKey | SGAWOGXMMPSZPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
番红花醛 (CAS 116-26-7), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde.
Chemical Property Profile of 番红花醛
Property Insights of 番红花醛
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 番红花醛. With a topological polar surface area (TPSA) of 17.1 Ų, 番红花醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 番红花醛 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 番红花醛?
The CAS number of 番红花醛 is 116-26-7.
What is the molecular formula of 番红花醛?
The molecular formula of 番红花醛 is C10H14O.
What is the molecular weight of 番红花醛?
The molecular weight of 番红花醛 is 150.10 g/mol.
Where can I buy 番红花醛?
You can request a quote for 番红花醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 番红花醛?
Yes, KEHONG BIO provides custom synthesis services for 番红花醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.