3-乙酰基-6-甲氧基苯甲醛
TL;DR: 3-乙酰基-6-甲氧基苯甲醛 (CAS 64276-66-0) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙酰基-6-甲氧基苯甲醛
5-acetyl-2-methoxybenzaldehyde
Also Known As: 5-Acetyl-2-methoxybenzaldehyde, 3-Acetyl-6-methoxybenzaldehyde, 5-Acetyl-2-methoxybenzaldehyd, o-Anisaldehyde, 5-acetyl-, Benzaldehyde, 5-acetyl-2-methoxy-
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 64276-66-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)C=O |
| InChIKey | WGQVKYPDHREEJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙酰基-6-甲氧基苯甲醛 (CAS 64276-66-0), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 5-acetyl-2-methoxybenzaldehyde.
Chemical Property Profile of 3-乙酰基-6-甲氧基苯甲醛
Property Insights of 3-乙酰基-6-甲氧基苯甲醛
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙酰基-6-甲氧基苯甲醛. With a topological polar surface area (TPSA) of 43.4 Ų, 3-乙酰基-6-甲氧基苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙酰基-6-甲氧基苯甲醛 has 0 hydrogen bond donor(s) and 3 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 3-乙酰基-6-甲氧基苯甲醛?
The CAS number of 3-乙酰基-6-甲氧基苯甲醛 is 64276-66-0.
What is the molecular formula of 3-乙酰基-6-甲氧基苯甲醛?
The molecular formula of 3-乙酰基-6-甲氧基苯甲醛 is C10H10O3.
What is the molecular weight of 3-乙酰基-6-甲氧基苯甲醛?
The molecular weight of 3-乙酰基-6-甲氧基苯甲醛 is 178.06 g/mol.
Where can I buy 3-乙酰基-6-甲氧基苯甲醛?
You can request a quote for 3-乙酰基-6-甲氧基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙酰基-6-甲氧基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 3-乙酰基-6-甲氧基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.