Xenicin
TL;DR: Xenicin (CAS 64504-52-5) is a chemical compound with molecular formula C28H38O9 and molecular weight 518.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,4aS,7Z,9R,11aR)-1-acetyloxy-4-[(2R)-1,2-diacetyloxy-4-methylpent-3-enyl]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-9-yl] acetate
Also Known As: Xenicin, [(1R,4aS,7Z,9R,11aR)-1-acetyloxy-4-[(2R)-1,2-diacetyloxy-4-methylpent-3-enyl]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-9-yl] acetate, Cyclonona(c)pyran-1,9-diol, 4-(1,2-bis(acetyloxy)-4-methyl-3-pentenyl)-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-, diacetate, (1R-(1R*,4(1R*,2R*),4aS*,7E,9R*,11aR*))-, ((1R,4aS,7E,9R,11aR)-1-acetyloxy-4-((1R,2R)-1,2-diacetyloxy-4-methylpent-3-enyl)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona(c)pyran-9-yl) acetate, ((1R,4aS,7Z,9R,11aR)-1-acetyloxy-4-((2R)-1,2-diacetyloxy-4-methylpent-3-enyl)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona(c)pyran-9-yl) acetate
| Molecular Formula | C28H38O9 |
|---|---|
| Molecular Weight | 518.25 g/mol |
| LogP | 4.4698 |
| Topological Polar Surface Area | 114.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.2516 |
| Heavy Atoms | 37 |
| Complexity | 999.123 |
Chemical Identifiers
| CAS Number | 64504-52-5 |
|---|---|
| SMILES | C/C/1=C/[C@@H](CC(=C)[C@H]2[C@H](CC1)C(=CO[C@@H]2OC(=O)C)C([C@@H](C=C(C)C)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
Xenicin (CAS 64504-52-5), with molecular formula C28H38O9 and molecular weight 518.25 g/mol. IUPAC: [(1R,4aS,7Z,9R,11aR)-1-acetyloxy-4-[(2R)-1,2-diacetyloxy-4-methylpent-3-enyl]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-9-yl] acetate.
Chemical Property Profile of Xenicin
Property Insights of Xenicin
The XLogP value of 4.4698 indicates that Xenicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Xenicin. Following Lipinski's Rule of Five, Xenicin has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xenicin?
The CAS number of Xenicin is 64504-52-5.
What is the molecular formula of Xenicin?
The molecular formula of Xenicin is C28H38O9.
What is the molecular weight of Xenicin?
The molecular weight of Xenicin is 518.25 g/mol.
Where can I buy Xenicin?
You can request a quote for Xenicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xenicin?
Yes, KEHONG BIO provides custom synthesis services for Xenicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.