Casearborin E
TL;DR: Casearborin E (CAS 272771-18-3) is a chemical compound with molecular formula C33H40O10 and molecular weight 596.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3R,5R,6aS,7R,8R,10aS)-1,3,5-triacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] 4-hydroxybenzoate
Also Known As: Casearborin E, [(1S,3R,5R,6aS,7R,8R,10aS)-1,3,5-triacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] 4-hydroxybenzoate, (1S,3R,5R,6aS,7R,8R,10aS)-1,3,5-Tris(acetyloxy)-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-3,5,6,6a,7,8,9,10-octahydro-1H-naphtho[1,8a-c]furan-10-yl 4-hydroxybenzoate
| Molecular Formula | C33H40O10 |
|---|---|
| Molecular Weight | 596.26 g/mol |
| LogP | 5.1591 |
| Topological Polar Surface Area | 134.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 596.26215 |
| Heavy Atoms | 43 |
| Complexity | 1343.6306 |
Chemical Identifiers
| CAS Number | 272771-18-3 |
|---|---|
| SMILES | C[C@@H]1CC([C@]23[C@H]([C@]1(C)C/C=C(\C)/C=C)C[C@H](C=C2[C@H](O[C@H]3OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C4=CC=C(C=C4)O |
Product Overview
Casearborin E (CAS 272771-18-3), with molecular formula C33H40O10 and molecular weight 596.26 g/mol. IUPAC: [(1S,3R,5R,6aS,7R,8R,10aS)-1,3,5-triacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] 4-hydroxybenzoate.
Chemical Property Profile of Casearborin E
Property Insights of Casearborin E
The XLogP value of 5.1591 indicates that Casearborin E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Casearborin E. Following Lipinski's Rule of Five, Casearborin E has 1 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 Casearborin E?
The CAS number of Casearborin E is 272771-18-3.
What is the molecular formula of Casearborin E?
The molecular formula of Casearborin E is C33H40O10.
What is the molecular weight of Casearborin E?
The molecular weight of Casearborin E is 596.26 g/mol.
Where can I buy Casearborin E?
You can request a quote for Casearborin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Casearborin E?
Yes, KEHONG BIO provides custom synthesis services for Casearborin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.