cis-(-)-Stobadin dihydrochloride
TL;DR: cis-(-)-Stobadin dihydrochloride (CAS 97571-51-2) is a chemical compound with molecular formula C16H26O2 and molecular weight 250.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1R,4aS,8aR)-1-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]acetate
Also Known As: cis-(-)-Stobadin HCl, cis-(-)-Stobadin dihydrochloride, Ethyl [(1R,4aS,8aR)-1-methyl-2-methylidenedecahydronaphthalen-1-yl]acetate, 1-Naphthaleneacetic acid, decahydro-1-methyl-2-methylene-, ethyl ester, (1alpha,4a-alpha,8 alpha beta), ethyl 2-[(1R,4aS,8aR)-1-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]acetate
| Molecular Formula | C16H26O2 |
|---|---|
| Molecular Weight | 250.19 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.19328 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 97571-51-2 |
|---|---|
| SMILES | CCOC(=O)C[C@@]1([C@@H]2CCCC[C@H]2CCC1=C)C |
| InChIKey | BJPCXRRQWCYTEZ-LZWOXQAQSA-N |
Product Overview
cis-(-)-Stobadin dihydrochloride (CAS 97571-51-2), with molecular formula C16H26O2 and molecular weight 250.19 g/mol. IUPAC: ethyl 2-[(1R,4aS,8aR)-1-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]acetate.
Chemical Property Profile of cis-(-)-Stobadin dihydrochloride
Property Insights of cis-(-)-Stobadin dihydrochloride
The XLogP value of 4.5 indicates that cis-(-)-Stobadin dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, cis-(-)-Stobadin dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-(-)-Stobadin dihydrochloride has 0 hydrogen bond donor(s) and 2 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 cis-(-)-Stobadin dihydrochloride?
The CAS number of cis-(-)-Stobadin dihydrochloride is 97571-51-2.
What is the molecular formula of cis-(-)-Stobadin dihydrochloride?
The molecular formula of cis-(-)-Stobadin dihydrochloride is C16H26O2.
What is the molecular weight of cis-(-)-Stobadin dihydrochloride?
The molecular weight of cis-(-)-Stobadin dihydrochloride is 250.19 g/mol.
Where can I buy cis-(-)-Stobadin dihydrochloride?
You can request a quote for cis-(-)-Stobadin dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-(-)-Stobadin dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for cis-(-)-Stobadin dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.