5,6,7,8-四氢-2-萘乙醛
TL;DR: 5,6,7,8-四氢-2-萘乙醛 (CAS 67801-18-7) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7,8-四氢-2-萘乙醛
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetaldehyde
Also Known As: 5,6,7,8-Tetrahydro-2-naphthaleneacetaldehyde, 2-Naphthaleneacetaldehyde, 5,6,7,8-tetrahydro-, 5,6,7,8-Tetrahydronaphthalen-2-acetaldehyde, 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetaldehyde, (5,6,7,8-tetrahydro-[2]naphthyl)-acetaldehyde
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 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 | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 67801-18-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC(=C2)CC=O |
| InChIKey | FQLQZBMPYBYGRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6,7,8-四氢-2-萘乙醛 (CAS 67801-18-7), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetaldehyde.
Chemical Property Profile of 5,6,7,8-四氢-2-萘乙醛
Property Insights of 5,6,7,8-四氢-2-萘乙醛
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7,8-四氢-2-萘乙醛. With a topological polar surface area (TPSA) of 17.1 Ų, 5,6,7,8-四氢-2-萘乙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8-四氢-2-萘乙醛 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 5,6,7,8-四氢-2-萘乙醛?
The CAS number of 5,6,7,8-四氢-2-萘乙醛 is 67801-18-7.
What is the molecular formula of 5,6,7,8-四氢-2-萘乙醛?
The molecular formula of 5,6,7,8-四氢-2-萘乙醛 is C12H14O.
What is the molecular weight of 5,6,7,8-四氢-2-萘乙醛?
The molecular weight of 5,6,7,8-四氢-2-萘乙醛 is 174.10 g/mol.
Where can I buy 5,6,7,8-四氢-2-萘乙醛?
You can request a quote for 5,6,7,8-四氢-2-萘乙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8-四氢-2-萘乙醛?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8-四氢-2-萘乙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.