Kericembrenolide A
TL;DR: Kericembrenolide A (CAS 104994-78-7) 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,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate
Also Known As: Kericembrenolide A, [(3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate, O-(6-oxocyclohexen-1-yl) N,N-dimethylcarbamothioate, (3aR-(3aR*,6E,10E,12S*,14E,15aS*))-12-(Acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylenecyclotetradeca(b)furan-2(3H)-one, ((3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca(b)furan-12-yl) acetate
| 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 | 104994-78-7 |
|---|---|
| SMILES | C/C/1=C/CC/C(=C\[C@H](C/C(=C\[C@H]2[C@H](CC1)C(=C)C(=O)O2)/C)OC(=O)C)/C |
Product Overview
Kericembrenolide A (CAS 104994-78-7), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: [(3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate.
Chemical Property Profile of Kericembrenolide A
Property Insights of Kericembrenolide A
The XLogP value of 4.8189 indicates that Kericembrenolide A 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 A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kericembrenolide A 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 A?
The CAS number of Kericembrenolide A is 104994-78-7.
What is the molecular formula of Kericembrenolide A?
The molecular formula of Kericembrenolide A is C22H30O4.
What is the molecular weight of Kericembrenolide A?
The molecular weight of Kericembrenolide A is 358.21 g/mol.
Where can I buy Kericembrenolide A?
You can request a quote for Kericembrenolide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kericembrenolide A?
Yes, KEHONG BIO provides custom synthesis services for Kericembrenolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.