Kericembrenolide D
TL;DR: Kericembrenolide D (CAS 104992-91-8) is a chemical compound with molecular formula C22H30O5 and molecular weight 374.21 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-hydroxy-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 D, [(3aS,4S,6Z,10Z,12S,14Z,15aS)-4-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate, (3aS-(3aR*,4R*,6E,10E,12R*,14E,15aR*))-12-(Acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-4-hydroxy-6,10,14-trimethyl-3-methylenecyclotetradeca(b)furan-2(3H)-one, Cyclotetradeca(b)furan-2(3H)-one, 12-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-4-hydroxy-6,10,14-trimethyl-3-methylene-, (3aS-(3aR*,4R*,6E,10E,12R*,14E,15aR*))-
| Molecular Formula | C22H30O5 |
|---|---|
| Molecular Weight | 374.21 g/mol |
| LogP | 3.7897 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.20932 |
| Heavy Atoms | 27 |
| Complexity | 697.4917 |
Chemical Identifiers
| CAS Number | 104992-91-8 |
|---|---|
| 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)OC(=O)C |
Product Overview
Kericembrenolide D (CAS 104992-91-8), with molecular formula C22H30O5 and molecular weight 374.21 g/mol. IUPAC: [(3aS,4S,6Z,10Z,12S,14Z,15aS)-4-hydroxy-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 D
Property Insights of Kericembrenolide D
The XLogP value of 3.7897 indicates that Kericembrenolide D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Kericembrenolide D. Following Lipinski's Rule of Five, Kericembrenolide D has 1 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 Kericembrenolide D?
The CAS number of Kericembrenolide D is 104992-91-8.
What is the molecular formula of Kericembrenolide D?
The molecular formula of Kericembrenolide D is C22H30O5.
What is the molecular weight of Kericembrenolide D?
The molecular weight of Kericembrenolide D is 374.21 g/mol.
Where can I buy Kericembrenolide D?
You can request a quote for Kericembrenolide D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kericembrenolide D?
Yes, KEHONG BIO provides custom synthesis services for Kericembrenolide D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.