ChemDiv1_006143
TL;DR: ChemDiv1_006143 (CAS 361992-06-5) is a chemical compound with molecular formula C20H18N2O4S2 and molecular weight 414.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
Also Known As: ChemDiv1_006143, BAS 02232688, 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione, BIM-0004596.P001, AB00103751-01
| Molecular Formula | C20H18N2O4S2 |
|---|---|
| Molecular Weight | 414.07 g/mol |
| LogP | 4.1278 |
| Topological Polar Surface Area | 68.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.0708 |
| Heavy Atoms | 28 |
| Complexity | 1049.6167 |
Chemical Identifiers
| CAS Number | 361992-06-5 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SC3CC(=O)N(C3=O)C4=CC(=CC=C4)OC |
Product Overview
ChemDiv1_006143 (CAS 361992-06-5), with molecular formula C20H18N2O4S2 and molecular weight 414.07 g/mol. IUPAC: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of ChemDiv1_006143
Property Insights of ChemDiv1_006143
The XLogP value of 4.1278 indicates that ChemDiv1_006143 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006143. Following Lipinski's Rule of Five, ChemDiv1_006143 has 0 hydrogen bond donor(s) and 7 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_006143?
The CAS number of ChemDiv1_006143 is 361992-06-5.
What is the molecular formula of ChemDiv1_006143?
The molecular formula of ChemDiv1_006143 is C20H18N2O4S2.
What is the molecular weight of ChemDiv1_006143?
The molecular weight of ChemDiv1_006143 is 414.07 g/mol.
Where can I buy ChemDiv1_006143?
You can request a quote for ChemDiv1_006143 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006143?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006143 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.