15-Ketodihydrokaurenoic acid methyl ester
TL;DR: 15-Ketodihydrokaurenoic acid methyl ester (CAS 826-72-2) is a chemical compound with molecular formula C21H32O3 and molecular weight 332.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4S,5R,9S,10S,13S,14R)-5,9,14-trimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Also Known As: 15-Kdkame, 15-Ketodihydrokaurenoic acid methyl ester, Kauran-18-oic acid, 15-oxo-, methyl ester, (4alpha)-, methyl(5, A,9
| Molecular Formula | C21H32O3 |
|---|---|
| Molecular Weight | 332.24 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.23514 |
| Heavy Atoms | 24 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 826-72-2 |
|---|---|
| SMILES | C[C@@H]1[C@H]2CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CCC3(C2)C1=O)(C)C(=O)OC)C |
| InChIKey | PRNXIACAYGXMDC-HGMCKUSGSA-N |
Product Overview
15-Ketodihydrokaurenoic acid methyl ester (CAS 826-72-2), with molecular formula C21H32O3 and molecular weight 332.24 g/mol. IUPAC: methyl (4S,5R,9S,10S,13S,14R)-5,9,14-trimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate.
Chemical Property Profile of 15-Ketodihydrokaurenoic acid methyl ester
Property Insights of 15-Ketodihydrokaurenoic acid methyl ester
The XLogP value of 4.9 indicates that 15-Ketodihydrokaurenoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 15-Ketodihydrokaurenoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 15-Ketodihydrokaurenoic acid methyl ester has 0 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 15-Ketodihydrokaurenoic acid methyl ester?
The CAS number of 15-Ketodihydrokaurenoic acid methyl ester is 826-72-2.
What is the molecular formula of 15-Ketodihydrokaurenoic acid methyl ester?
The molecular formula of 15-Ketodihydrokaurenoic acid methyl ester is C21H32O3.
What is the molecular weight of 15-Ketodihydrokaurenoic acid methyl ester?
The molecular weight of 15-Ketodihydrokaurenoic acid methyl ester is 332.24 g/mol.
Where can I buy 15-Ketodihydrokaurenoic acid methyl ester?
You can request a quote for 15-Ketodihydrokaurenoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-Ketodihydrokaurenoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 15-Ketodihydrokaurenoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.