小白菊内酯
TL;DR: 小白菊内酯 (CAS 20554-84-1) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
小白菊内酯
4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
Also Known As: parthenolide, (-)-Parthenolide, NCI60_001132, 4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one, (7Z)-4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 20554-84-1 |
|---|---|
| SMILES | CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C |
| InChIKey | KTEXNACQROZXEV-UHFFFAOYSA-N |
Product Overview
小白菊内酯 (CAS 20554-84-1), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one.
Chemical Property Profile of 小白菊内酯
Property Insights of 小白菊内酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 小白菊内酯. With a topological polar surface area (TPSA) of 38.8 Ų, 小白菊内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 银胶菊内酯 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 银胶菊内酯?
The CAS number of 银胶菊内酯 is 20554-84-1.
What is the molecular formula of 银胶菊内酯?
The molecular formula of 银胶菊内酯 is C15H20O3.
What is the molecular weight of 银胶菊内酯?
The molecular weight of 银胶菊内酯 is 248.14 g/mol.
Where can I buy 银胶菊内酯?
You can request a quote for 银胶菊内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 银胶菊内酯?
Yes, KEHONG BIO provides custom synthesis services for 银胶菊内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.