phytosterol hemisuccinate
TL;DR: phytosterol hemisuccinate (CAS 81126-89-8) is a chemical compound with molecular formula C20H22Cl2O3 and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]-2-methylbutanoate
Also Known As: phytosterol hemisuccinate, Sgd 36-78, Butanoic acid, 2-(4-((2,4-dichlorophenyl)methyl)phenoxy)-2-methyl-, ethyl ester, (+-)-, ethyl2-[4-[ methyl]phenoxy]-2-methyl-butanoate, Ethyl (+-)-2-(4-((2,4-dichlorophenyl)methyl)phenoxy)-2-methylbutanoate
| Molecular Formula | C20H22Cl2O3 |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 5.6948 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.0946 |
| Heavy Atoms | 25 |
| Complexity | 728.2212 |
Chemical Identifiers
| CAS Number | 81126-89-8 |
|---|---|
| SMILES | CCC(C)(C(=O)OCC)OC1=CC=C(C=C1)CC2=C(C=C(C=C2)Cl)Cl |
Product Overview
phytosterol hemisuccinate (CAS 81126-89-8), with molecular formula C20H22Cl2O3 and molecular weight 380.09 g/mol. IUPAC: ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]-2-methylbutanoate.
Chemical Property Profile of phytosterol hemisuccinate
Property Insights of phytosterol hemisuccinate
The XLogP value of 5.6948 indicates that phytosterol hemisuccinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, phytosterol hemisuccinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, phytosterol hemisuccinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of phytosterol hemisuccinate?
The CAS number of phytosterol hemisuccinate is 81126-89-8.
What is the molecular formula of phytosterol hemisuccinate?
The molecular formula of phytosterol hemisuccinate is C20H22Cl2O3.
What is the molecular weight of phytosterol hemisuccinate?
The molecular weight of phytosterol hemisuccinate is 380.09 g/mol.
Where can I buy phytosterol hemisuccinate?
You can request a quote for phytosterol hemisuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phytosterol hemisuccinate?
Yes, KEHONG BIO provides custom synthesis services for phytosterol hemisuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.