RefChem:1099891
TL;DR: RefChem:1099891 (CAS 161364-58-5) is a chemical compound with molecular formula C20H21NO5S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dihydroxyphenyl)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]prop-2-en-1-one
Also Known As: 3-(3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl)-2-((2-methoxyphenoxy)methyl)thiazolidine, Thiazolidine, 3-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-2-((2-methoxyphenoxy)methyl)-, (E)-3-(3,4-dihydroxyphenyl)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]prop-2-en-1-one, RefChem:1099891
| Molecular Formula | C20H21NO5S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 3.1001 |
| Topological Polar Surface Area | 79.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.11404 |
| Heavy Atoms | 27 |
| Complexity | 838.8718 |
Chemical Identifiers
| CAS Number | 161364-58-5 |
|---|---|
| SMILES | COC1=CC=CC=C1OCC2N(CCS2)C(=O)/C=C/C3=CC(=C(C=C3)O)O |
Product Overview
RefChem:1099891 (CAS 161364-58-5), with molecular formula C20H21NO5S and molecular weight 387.11 g/mol. IUPAC: (E)-3-(3,4-dihydroxyphenyl)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]prop-2-en-1-one.
Chemical Property Profile of RefChem:1099891
Property Insights of RefChem:1099891
The XLogP value of 3.1001 indicates that RefChem:1099891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.23 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1099891. Following Lipinski's Rule of Five, RefChem:1099891 has 2 hydrogen bond donor(s) and 6 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 RefChem:1099891?
The CAS number of RefChem:1099891 is 161364-58-5.
What is the molecular formula of RefChem:1099891?
The molecular formula of RefChem:1099891 is C20H21NO5S.
What is the molecular weight of RefChem:1099891?
The molecular weight of RefChem:1099891 is 387.11 g/mol.
Where can I buy RefChem:1099891?
You can request a quote for RefChem:1099891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099891?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.