Deacyljanerin
TL;DR: Deacyljanerin (CAS 96895-33-9) is a chemical compound with molecular formula C15H18O5 and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4S,6aR,8S,9aS,9bS)-4,8-dihydroxy-3,6-dimethylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-2-one
Also Known As: Deacyljanerin, (3aR,4S,6aR,8S,9aS,9bS)-4,8-dihydroxy-3,6-dimethylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-2-one, 4,8-Dihydroxy-3,6-dimethylidenedecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-2-one, (3aR,4S,6aR,8S,9aS,9bS)-4,8-Dihydroxy-3,6-dimethylidenedecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-2-one
| Molecular Formula | C15H18O5 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.11542 |
| Heavy Atoms | 20 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 96895-33-9 |
|---|---|
| SMILES | C=C1C[C@@H]([C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H](C34CO4)O)OC(=O)C2=C)O |
| InChIKey | PJBBLXOPECXDHO-ZYUIHESFSA-N |
Product Overview
Deacyljanerin (CAS 96895-33-9), with molecular formula C15H18O5 and molecular weight 278.12 g/mol. IUPAC: (3aR,4S,6aR,8S,9aS,9bS)-4,8-dihydroxy-3,6-dimethylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-2-one.
Chemical Property Profile of Deacyljanerin
Property Insights of Deacyljanerin
The XLogP value of -0.2 indicates that Deacyljanerin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Deacyljanerin. Following Lipinski's Rule of Five, Deacyljanerin has 2 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 Deacyljanerin?
The CAS number of Deacyljanerin is 96895-33-9.
What is the molecular formula of Deacyljanerin?
The molecular formula of Deacyljanerin is C15H18O5.
What is the molecular weight of Deacyljanerin?
The molecular weight of Deacyljanerin is 278.12 g/mol.
Where can I buy Deacyljanerin?
You can request a quote for Deacyljanerin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacyljanerin?
Yes, KEHONG BIO provides custom synthesis services for Deacyljanerin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.