Kericembrenolide E
TL;DR: Kericembrenolide E (CAS 104992-90-7) is a chemical compound with molecular formula C20H28O4 and molecular weight 332.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,4S,6Z,10Z,12S,14Z,15aS)-4,12-dihydroxy-6,10,14-trimethyl-3-methylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
Also Known As: Kericembrenolide E, (3aS,4S,6Z,10Z,12S,14Z,15aS)-4,12-dihydroxy-6,10,14-trimethyl-3-methylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one, (3aS-(3aR*,4R*,6E,10E,12R*,14E,15aR*))-3a,4,5,8,9,12,13,15a-Octahydro-4,12-dihydroxy-6,10,14-trimethyl-3-methylenecyclotetradeca(b)furan-2(3H)-one, (3aS,4S,6Z,10Z,12S,14Z,15aS)-4,12-dihydroxy-6,10,14-trimethyl-3-methylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca(b)furan-2-one, Cyclotetradeca(b)furan-2(3H)-one, 3a,4,5,8,9,12,13,15a-octahydro-4,12-dihydroxy-6,10,14-trimethyl-3-methylene-, (3aS-(3aR*,4R*,6E,10E,12R*,14E,15aR*))-
| Molecular Formula | C20H28O4 |
|---|---|
| Molecular Weight | 332.20 g/mol |
| LogP | 3.2189 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 332.19876 |
| Heavy Atoms | 24 |
| Complexity | 596.76013 |
Chemical Identifiers
| CAS Number | 104992-90-7 |
|---|---|
| SMILES | C/C/1=C/[C@H](C/C(=C\[C@H]2[C@H]([C@H](C/C(=C\CC1)/C)O)C(=C)C(=O)O2)/C)O |
Product Overview
Kericembrenolide E (CAS 104992-90-7), with molecular formula C20H28O4 and molecular weight 332.20 g/mol. IUPAC: (3aS,4S,6Z,10Z,12S,14Z,15aS)-4,12-dihydroxy-6,10,14-trimethyl-3-methylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one.
Chemical Property Profile of Kericembrenolide E
Property Insights of Kericembrenolide E
The XLogP value of 3.2189 indicates that Kericembrenolide E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Kericembrenolide E. Following Lipinski's Rule of Five, Kericembrenolide E 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 Kericembrenolide E?
The CAS number of Kericembrenolide E is 104992-90-7.
What is the molecular formula of Kericembrenolide E?
The molecular formula of Kericembrenolide E is C20H28O4.
What is the molecular weight of Kericembrenolide E?
The molecular weight of Kericembrenolide E is 332.20 g/mol.
Where can I buy Kericembrenolide E?
You can request a quote for Kericembrenolide E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kericembrenolide E?
Yes, KEHONG BIO provides custom synthesis services for Kericembrenolide E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.