N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
TL;DR: N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CAS 499111-33-0) is a chemical compound with molecular formula C20H19N3O2S and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
Also Known As: AO-081/41061553, N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide, N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide
| Molecular Formula | C20H19N3O2S |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 3.90474 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.1198 |
| Heavy Atoms | 26 |
| Complexity | 978.21387 |
Chemical Identifiers
| CAS Number | 499111-33-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=NC4=CC=CC=C4S3)C |
Product Overview
N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CAS 499111-33-0), with molecular formula C20H19N3O2S and molecular weight 365.12 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
Property Insights of N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
The XLogP value of 3.90474 indicates that N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has 1 hydrogen bond donor(s) and 4 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 N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is 499111-33-0.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is C20H19N3O2S.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is 365.12 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.