Spirostan-3,6-diol
TL;DR: Spirostan-3,6-diol (CAS 41743-71-9) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,5'R,7S,8R,9S,12S,13R,16S,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,19-diol
Also Known As: Chlorogenin, Spirostan-3,6-diol, (22xi,25R)-5alpha-Spirostan-3beta,6beta-diol, (1R,2S,4S,5'R,7S,8R,9S,12S,13R,16S,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,19-diol
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 4.7646 |
| Topological Polar Surface Area | 58.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 716.025 |
Chemical Identifiers
| CAS Number | 41743-71-9 |
|---|---|
| SMILES | C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1 |
Product Overview
Spirostan-3,6-diol (CAS 41743-71-9), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: (1R,2S,4S,5'R,7S,8R,9S,12S,13R,16S,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,19-diol.
Chemical Property Profile of Spirostan-3,6-diol
Property Insights of Spirostan-3,6-diol
The XLogP value of 4.7646 indicates that Spirostan-3,6-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.92 Ų, Spirostan-3,6-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spirostan-3,6-diol has 2 hydrogen bond donor(s) and 4 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 Spirostan-3,6-diol?
The CAS number of Spirostan-3,6-diol is 41743-71-9.
What is the molecular formula of Spirostan-3,6-diol?
The molecular formula of Spirostan-3,6-diol is C27H44O4.
What is the molecular weight of Spirostan-3,6-diol?
The molecular weight of Spirostan-3,6-diol is 432.32 g/mol.
Where can I buy Spirostan-3,6-diol?
You can request a quote for Spirostan-3,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirostan-3,6-diol?
Yes, KEHONG BIO provides custom synthesis services for Spirostan-3,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.