Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)-
TL;DR: Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)- (CAS 89965-12-8) is a chemical compound with molecular formula C22H36O4 and molecular weight 364.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4S,5S,6R,9S,10S,13S,14S)-2,6-dihydroxy-5,9,14-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
Also Known As: 3,7-Dihydroxykauran-19-yl acetate, Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)-, (16S)-3alpha,7beta-Dihydroxy-5beta,9beta,10alpha-kauran-19-yl acetate
| Molecular Formula | C22H36O4 |
|---|---|
| Molecular Weight | 364.26 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.26135 |
| Heavy Atoms | 26 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 89965-12-8 |
|---|---|
| SMILES | C[C@H]1CC23C[C@@H]1CC[C@H]2[C@@]4(CC[C@H]([C@]([C@H]4C[C@@H]3O)(C)COC(=O)C)O)C |
| InChIKey | MBEQPJKZCPXXAK-JEJQAZERSA-N |
Product Overview
Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)- (CAS 89965-12-8), with molecular formula C22H36O4 and molecular weight 364.26 g/mol. IUPAC: [(2S,4S,5S,6R,9S,10S,13S,14S)-2,6-dihydroxy-5,9,14-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate.
Chemical Property Profile of Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)-
Property Insights of Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)-
The XLogP value of 3.8 indicates that Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)-. Following Lipinski's Rule of Five, Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)- has 2 hydrogen bond donor(s) and 4 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 Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)-?
The CAS number of Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)- is 89965-12-8.
What is the molecular formula of Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)-?
The molecular formula of Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)- is C22H36O4.
What is the molecular weight of Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)-?
The molecular weight of Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)- is 364.26 g/mol.
Where can I buy Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)-?
You can request a quote for Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)-?
Yes, KEHONG BIO provides custom synthesis services for Kaurane-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.