苦楠素 A
TL;DR: 苦楠素 A (CAS 64364-76-7) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苦楠素 A
(1R,4S,5R,8S,9R,10R,11R)-9-hydroxy-4,11,14-trimethyl-3,7-dioxapentacyclo[8.7.0.01,5.04,8.011,15]heptadeca-13,15-diene-6,12,17-trione
Also Known As: Samaderin A, Samaderine A, (-)-Samaderin A, Samaderin A [MI], SAMADERINS A
| Molecular Formula | C18H18O6 |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 330.11035 |
| Heavy Atoms | 24 |
| Complexity | 808.0 |
Chemical Identifiers
| CAS Number | 64364-76-7 |
|---|---|
| SMILES | CC1=CC(=O)[C@]2(C1=CC(=O)[C@]34[C@@H]2[C@H]([C@H]5[C@]([C@@H]3C(=O)O5)(OC4)C)O)C |
| InChIKey | BHRGGWSNTHQGED-QNHMRRABSA-N |
Product Overview
苦楠素 A (CAS 64364-76-7), with molecular formula C18H18O6 and molecular weight 330.11 g/mol. IUPAC: (1R,4S,5R,8S,9R,10R,11R)-9-hydroxy-4,11,14-trimethyl-3,7-dioxapentacyclo[8.7.0.01,5.04,8.011,15]heptadeca-13,15-diene-6,12,17-trione.
Chemical Property Profile of 苦楠素 A
Property Insights of 苦楠素 A
The XLogP value of -1.1 indicates that 苦楠素 A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 苦楠素 A. Following Lipinski's Rule of Five, 苦楠素 A has 1 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 苦楠素 A?
The CAS number of 苦楠素 A is 64364-76-7.
What is the molecular formula of 苦楠素 A?
The molecular formula of 苦楠素 A is C18H18O6.
What is the molecular weight of 苦楠素 A?
The molecular weight of 苦楠素 A is 330.11 g/mol.
Where can I buy 苦楠素 A?
You can request a quote for 苦楠素 A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苦楠素 A?
Yes, KEHONG BIO provides custom synthesis services for 苦楠素 A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.