罗布麻素
TL;DR: 罗布麻素 (CAS 498-02-2) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
罗布麻素
1-(4-hydroxy-3-methoxyphenyl)ethanone
Also Known As: Acetovanillone, apocynin, Acetoguaiacone, Apocynine, Acetoguaiacon
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 498-02-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)O)OC |
| InChIKey | DFYRUELUNQRZTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
罗布麻素 (CAS 498-02-2), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 1-(4-hydroxy-3-methoxyphenyl)ethanone.
Chemical Property Profile of 罗布麻素
Property Insights of 罗布麻素
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 罗布麻素. With a topological polar surface area (TPSA) of 46.5 Ų, 罗布麻素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 罗布麻素 has 1 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 罗布麻素?
The CAS number of 罗布麻素 is 498-02-2.
What is the molecular formula of 罗布麻素?
The molecular formula of 罗布麻素 is C9H10O3.
What is the molecular weight of 罗布麻素?
The molecular weight of 罗布麻素 is 166.06 g/mol.
Where can I buy 罗布麻素?
You can request a quote for 罗布麻素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 罗布麻素?
Yes, KEHONG BIO provides custom synthesis services for 罗布麻素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.