Kericembrenolide B
TL;DR: Kericembrenolide B (CAS 104992-93-0) is a chemical compound with molecular formula C22H30O4 and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,6Z,9R,10Z,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-9-yl] acetate
Also Known As: Kericembrenolide B, [(3aR,6Z,9R,10Z,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-9-yl] acetate, ((3aR,6Z,9R,10Z,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca(b)furan-9-yl) acetate, Cyclotetradeca(b)furan-2(3H)-one, 9-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-, (3aR-(3aR*,6E,9R*,10E,14E,15aS*))-, RefChem:151118
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 4.8189 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 665.62976 |
Chemical Identifiers
| CAS Number | 104992-93-0 |
|---|---|
| SMILES | C/C/1=C/C[C@H](/C(=C\CC/C(=C\[C@H]2[C@H](CC1)C(=C)C(=O)O2)/C)/C)OC(=O)C |
Product Overview
Kericembrenolide B (CAS 104992-93-0), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: [(3aR,6Z,9R,10Z,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-9-yl] acetate.
Chemical Property Profile of Kericembrenolide B
Property Insights of Kericembrenolide B
The XLogP value of 4.8189 indicates that Kericembrenolide B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Kericembrenolide B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kericembrenolide B has 0 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 B?
The CAS number of Kericembrenolide B is 104992-93-0.
What is the molecular formula of Kericembrenolide B?
The molecular formula of Kericembrenolide B is C22H30O4.
What is the molecular weight of Kericembrenolide B?
The molecular weight of Kericembrenolide B is 358.21 g/mol.
Where can I buy Kericembrenolide B?
You can request a quote for Kericembrenolide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kericembrenolide B?
Yes, KEHONG BIO provides custom synthesis services for Kericembrenolide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.