ChemDiv1_009929
TL;DR: ChemDiv1_009929 (CAS 332938-20-2) is a chemical compound with molecular formula C21H20N2O5S2 and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
Also Known As: ChemDiv1_009929, BAS 01921710, 1-(3,4-dimethoxyphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione, 1-(3,4-dimethoxyphenyl)-3-(6-ethoxybenzothiazol-2-ylthio)azolidine-2,5-dione
| Molecular Formula | C21H20N2O5S2 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 4.1364 |
| Topological Polar Surface Area | 77.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.08136 |
| Heavy Atoms | 30 |
| Complexity | 1113.9698 |
Chemical Identifiers
| CAS Number | 332938-20-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SC3CC(=O)N(C3=O)C4=CC(=C(C=C4)OC)OC |
Product Overview
ChemDiv1_009929 (CAS 332938-20-2), with molecular formula C21H20N2O5S2 and molecular weight 444.08 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione.
Chemical Property Profile of ChemDiv1_009929
Property Insights of ChemDiv1_009929
The XLogP value of 4.1364 indicates that ChemDiv1_009929 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009929. Following Lipinski's Rule of Five, ChemDiv1_009929 has 0 hydrogen bond donor(s) and 8 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 ChemDiv1_009929?
The CAS number of ChemDiv1_009929 is 332938-20-2.
What is the molecular formula of ChemDiv1_009929?
The molecular formula of ChemDiv1_009929 is C21H20N2O5S2.
What is the molecular weight of ChemDiv1_009929?
The molecular weight of ChemDiv1_009929 is 444.08 g/mol.
Where can I buy ChemDiv1_009929?
You can request a quote for ChemDiv1_009929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009929?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.