Cavernulin
TL;DR: Cavernulin (CAS 90052-70-3) is a chemical compound with molecular formula C31H46O10 and molecular weight 578.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4R,7S,8Z,12S,13S,14R,15R)-15-acetyloxy-2,3-dihydroxy-4,9,13,17-tetramethyl-5-oxo-14-propanoyloxy-6-oxatricyclo[11.4.0.03,7]heptadeca-8,16-dien-12-yl] hexanoate
Also Known As: Cavernulin
| Molecular Formula | C31H46O10 |
|---|---|
| Molecular Weight | 578.31 g/mol |
| LogP | 3.708 |
| Topological Polar Surface Area | 145.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 578.3091 |
| Heavy Atoms | 41 |
| Complexity | 1078.7697 |
Chemical Identifiers
| CAS Number | 90052-70-3 |
|---|---|
| SMILES | CCCCCC(=O)O[C@H]1CC/C(=C\[C@H]2[C@@]([C@H](C(=O)O2)C)([C@H]([C@@H]3[C@@]1([C@H]([C@@H](C=C3C)OC(=O)C)OC(=O)CC)C)O)O)/C |
Product Overview
Cavernulin (CAS 90052-70-3), with molecular formula C31H46O10 and molecular weight 578.31 g/mol. IUPAC: [(1S,2S,3R,4R,7S,8Z,12S,13S,14R,15R)-15-acetyloxy-2,3-dihydroxy-4,9,13,17-tetramethyl-5-oxo-14-propanoyloxy-6-oxatricyclo[11.4.0.03,7]heptadeca-8,16-dien-12-yl] hexanoate.
Chemical Property Profile of Cavernulin
Property Insights of Cavernulin
The XLogP value of 3.708 indicates that Cavernulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.66 Ų indicates high polarity, suggesting Cavernulin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cavernulin has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cavernulin?
The CAS number of Cavernulin is 90052-70-3.
What is the molecular formula of Cavernulin?
The molecular formula of Cavernulin is C31H46O10.
What is the molecular weight of Cavernulin?
The molecular weight of Cavernulin is 578.31 g/mol.
Where can I buy Cavernulin?
You can request a quote for Cavernulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cavernulin?
Yes, KEHONG BIO provides custom synthesis services for Cavernulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.