Bersaldegenin,3,5-orthoacetate
TL;DR: Bersaldegenin,3,5-orthoacetate (CAS 356-62-7) is a chemical compound with molecular formula C26H32O8 and molecular weight 472.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde
Also Known As: BERSALDEGENIN,3,5-ORTHOACETATE, 5,7-dihydroxy-9,16-dimethyl-8-(2-oxo-2h-pyran-5-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde(non-preferred name)
| Molecular Formula | C26H32O8 |
|---|---|
| Molecular Weight | 472.21 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 472.20972 |
| Heavy Atoms | 34 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 356-62-7 |
|---|---|
| SMILES | CC12CCC3C(C1(CC(C2C4=COC(=O)C=C4)O)O)CCC56C3(C7CC(C5)OC(O7)(O6)C)C=O |
| InChIKey | BAHOJFZMHXQESK-UHFFFAOYSA-N |
Product Overview
Bersaldegenin,3,5-orthoacetate (CAS 356-62-7), with molecular formula C26H32O8 and molecular weight 472.21 g/mol. IUPAC: 5,7-dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde.
Chemical Property Profile of Bersaldegenin,3,5-orthoacetate
Property Insights of Bersaldegenin,3,5-orthoacetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bersaldegenin,3,5-orthoacetate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bersaldegenin,3,5-orthoacetate. Following Lipinski's Rule of Five, Bersaldegenin,3,5-orthoacetate has 2 hydrogen bond donor(s) and 8 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 Bersaldegenin,3,5-orthoacetate?
The CAS number of Bersaldegenin,3,5-orthoacetate is 356-62-7.
What is the molecular formula of Bersaldegenin,3,5-orthoacetate?
The molecular formula of Bersaldegenin,3,5-orthoacetate is C26H32O8.
What is the molecular weight of Bersaldegenin,3,5-orthoacetate?
The molecular weight of Bersaldegenin,3,5-orthoacetate is 472.21 g/mol.
Where can I buy Bersaldegenin,3,5-orthoacetate?
You can request a quote for Bersaldegenin,3,5-orthoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bersaldegenin,3,5-orthoacetate?
Yes, KEHONG BIO provides custom synthesis services for Bersaldegenin,3,5-orthoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.