治疝草素
TL;DR: 治疝草素 (CAS 531-59-9) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
治疝草素
7-methoxychromen-2-one
Also Known As: 7-Methoxycoumarin, Herniarin, Ayapanin, Herniarine, Methylumbelliferone
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
| Melting Point | 117 - 118 °C |
| Boiling Point | 334.00 to 335.00 °C. @ 760.00 mm Hg |
| Solubility | 0.133 mg/mL |
Chemical Identifiers
| CAS Number | 531-59-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C=CC(=O)O2 |
| InChIKey | LIIALPBMIOVAHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
治疝草素 (CAS 531-59-9), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: 7-methoxychromen-2-one.
Chemical Property Profile of 治疝草素
Property Insights of 治疝草素
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 治疝草素. With a topological polar surface area (TPSA) of 35.5 Ų, 治疝草素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 治疝草素 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 治疝草素?
The CAS number of 治疝草素 is 531-59-9.
What is the molecular formula of 治疝草素?
The molecular formula of 治疝草素 is C10H8O3.
What is the molecular weight of 治疝草素?
The molecular weight of 治疝草素 is 176.05 g/mol.
Where can I buy 治疝草素?
You can request a quote for 治疝草素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 治疝草素?
Yes, KEHONG BIO provides custom synthesis services for 治疝草素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.