莨菪亭
TL;DR: 莨菪亭 (CAS 92-61-5) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
莨菪亭
7-hydroxy-6-methoxychromen-2-one
Also Known As: scopoletin, Gelseminic acid, Scopoletine, Murrayetin, Scopoletol
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.5072 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 527.1233 |
Chemical Identifiers
| CAS Number | 92-61-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
Product Overview
莨菪亭 (CAS 92-61-5), with molecular formula C10H8O4 and molecular weight 192.04 g/mol. IUPAC: 7-hydroxy-6-methoxychromen-2-one.
Chemical Property Profile of 莨菪亭
Property Insights of 莨菪亭
The XLogP value of 1.5072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 莨菪亭. With a topological polar surface area (TPSA) of 59.67 Ų, 莨菪亭 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 莨菪亭 has 1 hydrogen bond donor(s) and 4 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 莨菪亭?
The CAS number of 莨菪亭 is 92-61-5.
What is the molecular formula of 莨菪亭?
The molecular formula of 莨菪亭 is C10H8O4.
What is the molecular weight of 莨菪亭?
The molecular weight of 莨菪亭 is 192.04 g/mol.
Where can I buy 莨菪亭?
You can request a quote for 莨菪亭 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 莨菪亭?
Yes, KEHONG BIO provides custom synthesis services for 莨菪亭 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.