红雀椿素
TL;DR: 红雀椿素 (CAS 76-78-8) is a chemical compound with molecular formula C22H28O6 and molecular weight 388.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
红雀椿素
4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
Also Known As: quassin, Nigakilactone D, Isoquassin, Picrasmin, (+)-Isoquassin
| Molecular Formula | C22H28O6 |
|---|---|
| Molecular Weight | 388.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.1886 |
| Heavy Atoms | 28 |
| Complexity | 838.0 |
| Melting Point | 221 - 222 °C |
Chemical Identifiers
| CAS Number | 76-78-8 |
|---|---|
| SMILES | CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(=O)O3)C)OC)C)C)OC |
| InChIKey | IOSXSVZRTUWBHC-UHFFFAOYSA-N |
Product Overview
红雀椿素 (CAS 76-78-8), with molecular formula C22H28O6 and molecular weight 388.19 g/mol. IUPAC: 4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione.
Chemical Property Profile of 红雀椿素
Property Insights of 红雀椿素
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 红雀椿素. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 红雀椿素. Following Lipinski's Rule of Five, 红雀椿素 has 0 hydrogen bond donor(s) and 6 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 红雀椿素?
The CAS number of 红雀椿素 is 76-78-8.
What is the molecular formula of 红雀椿素?
The molecular formula of 红雀椿素 is C22H28O6.
What is the molecular weight of 红雀椿素?
The molecular weight of 红雀椿素 is 388.19 g/mol.
Where can I buy 红雀椿素?
You can request a quote for 红雀椿素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 红雀椿素?
Yes, KEHONG BIO provides custom synthesis services for 红雀椿素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.