草居蕈素
TL;DR: 草居蕈素 (CAS 502-12-5) is a chemical compound with molecular formula C11H8O2 and molecular weight 172.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
草居蕈素
5-hepta-1,2-dien-4,6-diynyloxolan-2-one
Also Known As: Nemotin, 5-(1,2-Heptadiene-4,6-diynyl)dihydro-2(3H)-furanone, 5-hepta-1,2-dien-4,6-diynyloxolan-2-one, Undeca-5,6-diene-8,10-diyn-4-olide, 4-17-00-05182 (Beilstein Handbook Reference)
| Molecular Formula | C11H8O2 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.05243 |
| Heavy Atoms | 13 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 502-12-5 |
|---|---|
| SMILES | C#CC#CC=C=CC1CCC(=O)O1 |
| InChIKey | FRTIRZDYHKNXHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
草居蕈素 (CAS 502-12-5), with molecular formula C11H8O2 and molecular weight 172.05 g/mol. IUPAC: 5-hepta-1,2-dien-4,6-diynyloxolan-2-one.
Chemical Property Profile of 草居蕈素
Property Insights of 草居蕈素
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 草居蕈素. With a topological polar surface area (TPSA) of 26.3 Ų, 草居蕈素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 草居蕈素 has 0 hydrogen bond donor(s) and 2 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 草居蕈素?
The CAS number of 草居蕈素 is 502-12-5.
What is the molecular formula of 草居蕈素?
The molecular formula of 草居蕈素 is C11H8O2.
What is the molecular weight of 草居蕈素?
The molecular weight of 草居蕈素 is 172.05 g/mol.
Where can I buy 草居蕈素?
You can request a quote for 草居蕈素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 草居蕈素?
Yes, KEHONG BIO provides custom synthesis services for 草居蕈素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.