龟贝柯素
TL;DR: 龟贝柯素 (CAS 73981-34-7) is a chemical compound with molecular formula C20H30O5 and molecular weight 350.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
龟贝柯素
2,8,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
Also Known As: kamebakaurin, Kamebakaurine, 2,8,16-Trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one, 1,7,14,20-Tetrahydroxykaur-16-en-15-one (1alpha,7alpha,14R), (1R,2R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
| Molecular Formula | C20H30O5 |
|---|---|
| Molecular Weight | 350.21 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.20932 |
| Heavy Atoms | 25 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 73981-34-7 |
|---|---|
| SMILES | CC1(CCC(C2(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)CO)O)C |
| InChIKey | WHSUEVLJUHPROF-UHFFFAOYSA-N |
Product Overview
龟贝柯素 (CAS 73981-34-7), with molecular formula C20H30O5 and molecular weight 350.21 g/mol. IUPAC: 2,8,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one.
Chemical Property Profile of 龟贝柯素
Property Insights of 龟贝柯素
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 龟贝柯素. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 龟贝柯素. Following Lipinski's Rule of Five, 龟贝柯素 has 4 hydrogen bond donor(s) and 5 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 龟贝柯素?
The CAS number of 龟贝柯素 is 73981-34-7.
What is the molecular formula of 龟贝柯素?
The molecular formula of 龟贝柯素 is C20H30O5.
What is the molecular weight of 龟贝柯素?
The molecular weight of 龟贝柯素 is 350.21 g/mol.
Where can I buy 龟贝柯素?
You can request a quote for 龟贝柯素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 龟贝柯素?
Yes, KEHONG BIO provides custom synthesis services for 龟贝柯素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.