油菜素内酯
TL;DR: 油菜素内酯 (CAS 72962-43-7) is a chemical compound with molecular formula C28H48O6 and molecular weight 480.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
油菜素内酯
15-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
Also Known As: Brassinolide, EPIBRASSINOLIDE, 24-Epibrassinolide, brassinosteroid, Suvorexant
| Molecular Formula | C28H48O6 |
|---|---|
| Molecular Weight | 480.35 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.3451 |
| Heavy Atoms | 34 |
| Complexity | 755.0 |
| Melting Point | 256 - 258 °C |
Chemical Identifiers
| CAS Number | 72962-43-7 |
|---|---|
| SMILES | CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O |
| InChIKey | IXVMHGVQKLDRKH-UHFFFAOYSA-N |
Product Overview
油菜素内酯 (CAS 72962-43-7), with molecular formula C28H48O6 and molecular weight 480.35 g/mol. IUPAC: 15-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one.
Chemical Property Profile of 油菜素内酯
Property Insights of 油菜素内酯
The XLogP value of 4.8 indicates that 芸苔素内酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 油菜素内酯. Following Lipinski's Rule of Five, 芸苔素内酯 has 4 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 芸苔素内酯?
The CAS number of 芸苔素内酯 is 72962-43-7.
What is the molecular formula of 芸苔素内酯?
The molecular formula of 芸苔素内酯 is C28H48O6.
What is the molecular weight of 芸苔素内酯?
The molecular weight of 芸苔素内酯 is 480.35 g/mol.
Where can I buy 芸苔素内酯?
You can request a quote for 芸苔素内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 芸苔素内酯?
Yes, KEHONG BIO provides custom synthesis services for 芸苔素内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.