beta-Sitosterol hydrogen succinate
TL;DR: beta-Sitosterol hydrogen succinate (CAS 81125-67-9) is a chemical compound with molecular formula C33H54O4 and molecular weight 514.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[17-(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]oxy]-4-oxobutanoic acid
Also Known As: beta-STEMS, phytosterol hemisuccinate, SITOSTEROL, HEMISUCCINATE, .beta.-Sitosterol hydrogen succinate, beta-Sitosterol hydrogen succinate
| Molecular Formula | C33H54O4 |
|---|---|
| Molecular Weight | 514.40 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 514.4022 |
| Heavy Atoms | 37 |
| Complexity | 860.0 |
Chemical Identifiers
| CAS Number | 81125-67-9 |
|---|---|
| SMILES | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C)C(C)C |
| InChIKey | QTSGGWZGUWTEOK-UHFFFAOYSA-N |
Product Overview
beta-Sitosterol hydrogen succinate (CAS 81125-67-9), with molecular formula C33H54O4 and molecular weight 514.40 g/mol. IUPAC: 4-[[17-(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]oxy]-4-oxobutanoic acid.
Chemical Property Profile of beta-Sitosterol hydrogen succinate
Property Insights of beta-Sitosterol hydrogen succinate
The XLogP value of 9.3 indicates that beta-Sitosterol hydrogen succinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Sitosterol hydrogen succinate. Following Lipinski's Rule of Five, beta-Sitosterol hydrogen succinate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Sitosterol hydrogen succinate?
The CAS number of beta-Sitosterol hydrogen succinate is 81125-67-9.
What is the molecular formula of beta-Sitosterol hydrogen succinate?
The molecular formula of beta-Sitosterol hydrogen succinate is C33H54O4.
What is the molecular weight of beta-Sitosterol hydrogen succinate?
The molecular weight of beta-Sitosterol hydrogen succinate is 514.40 g/mol.
Where can I buy beta-Sitosterol hydrogen succinate?
You can request a quote for beta-Sitosterol hydrogen succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Sitosterol hydrogen succinate?
Yes, KEHONG BIO provides custom synthesis services for beta-Sitosterol hydrogen succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.