Methyl 15-hydroxykauran-18-oate
TL;DR: Methyl 15-hydroxykauran-18-oate (CAS 106818-49-9) is a chemical compound with molecular formula C21H34O3 and molecular weight 334.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4S,5R,9S,10S)-15-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Also Known As: Methyl 15-hydroxykauran-18-oate, Methyl 15-hydroxy-5beta,9beta,10alpha,16xi-kauran-18-oate, Kauran-18-oic acid, 15-hydroxy-, methyl ester, (4alpha,16xi)-, Methyl (4S,5R,9S,10S)-15-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
| Molecular Formula | C21H34O3 |
|---|---|
| Molecular Weight | 334.25 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.2508 |
| Heavy Atoms | 24 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 106818-49-9 |
|---|---|
| SMILES | CC1C2CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CCC3(C2)C1O)(C)C(=O)OC)C |
| InChIKey | DECWLUDQIFLZNV-ZCVCDGBISA-N |
Product Overview
Methyl 15-hydroxykauran-18-oate (CAS 106818-49-9), with molecular formula C21H34O3 and molecular weight 334.25 g/mol. IUPAC: methyl (4S,5R,9S,10S)-15-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate.
Chemical Property Profile of Methyl 15-hydroxykauran-18-oate
Property Insights of Methyl 15-hydroxykauran-18-oate
The XLogP value of 5.0 indicates that Methyl 15-hydroxykauran-18-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 15-hydroxykauran-18-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 15-hydroxykauran-18-oate has 1 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 Methyl 15-hydroxykauran-18-oate?
The CAS number of Methyl 15-hydroxykauran-18-oate is 106818-49-9.
What is the molecular formula of Methyl 15-hydroxykauran-18-oate?
The molecular formula of Methyl 15-hydroxykauran-18-oate is C21H34O3.
What is the molecular weight of Methyl 15-hydroxykauran-18-oate?
The molecular weight of Methyl 15-hydroxykauran-18-oate is 334.25 g/mol.
Where can I buy Methyl 15-hydroxykauran-18-oate?
You can request a quote for Methyl 15-hydroxykauran-18-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 15-hydroxykauran-18-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 15-hydroxykauran-18-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.