素馨醛
TL;DR: 素馨醛 (CAS 122-40-7) is a chemical compound with molecular formula C14H18O and molecular weight 202.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
素馨醛
2-benzylideneheptanal
Also Known As: 2-Benzylideneheptanal, alpha-Amylcinnamaldehyde, Amylcinnamaldehyde, Jasminal, Jasminaldehyde
| Molecular Formula | C14H18O |
|---|---|
| Molecular Weight | 202.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.13577 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
| Boiling Point | 284 °C |
| Density | 0.9711 g/cu cm at 20 °C |
| Solubility | Soluble in acetone, carbon tetrachloride |
| Refractive Index | 1.5381 at 20 °C |
Chemical Identifiers
| CAS Number | 122-40-7 |
|---|---|
| SMILES | CCCCCC(=CC1=CC=CC=C1)C=O |
| InChIKey | HMKKIXGYKWDQSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
素馨醛 (CAS 122-40-7), with molecular formula C14H18O and molecular weight 202.14 g/mol. IUPAC: 2-benzylideneheptanal.
Chemical Property Profile of 素馨醛
Property Insights of 素馨醛
The XLogP value of 4.2 indicates that 素馨醛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 素馨醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 素馨醛 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 素馨醛?
The CAS number of 素馨醛 is 122-40-7.
What is the molecular formula of 素馨醛?
The molecular formula of 素馨醛 is C14H18O.
What is the molecular weight of 素馨醛?
The molecular weight of 素馨醛 is 202.14 g/mol.
Where can I buy 素馨醛?
You can request a quote for 素馨醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 素馨醛?
Yes, KEHONG BIO provides custom synthesis services for 素馨醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.