Suberosenol B Acetate
TL;DR: Suberosenol B Acetate (CAS 313242-64-7) is a chemical compound with molecular formula C17H26O2 and molecular weight 262.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3R,5S,6S,9S)-9,11,11-trimethyl-2-methylidene-3-tricyclo[4.3.2.01,5]undecanyl] acetate
Also Known As: Suberosenol B acetate, J1.462.280B, ((1S,3R,5S,6S,9S)-9,11,11-trimethyl-2-methylidene-3-tricyclo(4.3.2.01,5)undecanyl) acetate, (1S,3R,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-yl acetate, (2R,3aS,4S,7S,7aS)-4,7a-Ethano-1-methylene-7,9,9-trimethyloctahydro-1H-indene-2-ol acetate
| Molecular Formula | C17H26O2 |
|---|---|
| Molecular Weight | 262.19 g/mol |
| LogP | 3.9566 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.19327 |
| Heavy Atoms | 19 |
| Complexity | 436.54303 |
Chemical Identifiers
| CAS Number | 313242-64-7 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@H]3[C@@]1(CC2(C)C)C(=C)[C@@H](C3)OC(=O)C |
Product Overview
Suberosenol B Acetate (CAS 313242-64-7), with molecular formula C17H26O2 and molecular weight 262.19 g/mol. IUPAC: [(1S,3R,5S,6S,9S)-9,11,11-trimethyl-2-methylidene-3-tricyclo[4.3.2.01,5]undecanyl] acetate.
Chemical Property Profile of Suberosenol B Acetate
Property Insights of Suberosenol B Acetate
The XLogP value of 3.9566 indicates that Suberosenol B Acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Suberosenol B Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Suberosenol B Acetate 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 Suberosenol B Acetate?
The CAS number of Suberosenol B Acetate is 313242-64-7.
What is the molecular formula of Suberosenol B Acetate?
The molecular formula of Suberosenol B Acetate is C17H26O2.
What is the molecular weight of Suberosenol B Acetate?
The molecular weight of Suberosenol B Acetate is 262.19 g/mol.
Where can I buy Suberosenol B Acetate?
You can request a quote for Suberosenol B Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Suberosenol B Acetate?
Yes, KEHONG BIO provides custom synthesis services for Suberosenol B Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.