BSSO
TL;DR: BSSO (CAS 3712-16-1) is a chemical compound with molecular formula C47H82O2 and molecular weight 678.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
Also Known As: BSSO, beta-Sitosterol oleate, [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
| Molecular Formula | C47H82O2 |
|---|---|
| Molecular Weight | 678.63 g/mol |
| LogP | 14.6132 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 22 |
| Exact Mass | 678.6315 |
| Heavy Atoms | 49 |
| Complexity | 1023.1108 |
Chemical Identifiers
| CAS Number | 3712-16-1 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CC[C@@H](CC)C(C)C)C)C |
Product Overview
BSSO (CAS 3712-16-1), with molecular formula C47H82O2 and molecular weight 678.63 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate.
Chemical Property Profile of BSSO
Property Insights of BSSO
The XLogP value of 14.6132 indicates that BSSO is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, BSSO exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BSSO has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BSSO?
The CAS number of BSSO is 3712-16-1.
What is the molecular formula of BSSO?
The molecular formula of BSSO is C47H82O2.
What is the molecular weight of BSSO?
The molecular weight of BSSO is 678.63 g/mol.
Where can I buy BSSO?
You can request a quote for BSSO directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BSSO?
Yes, KEHONG BIO provides custom synthesis services for BSSO and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.