![N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide structure](/static/products/825/825597-91-9.png)
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
TL;DR: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CAS 825597-91-9) is a chemical compound with molecular formula C21H19ClN4O3S and molecular weight 442.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Also Known As: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide, N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide, N-{5-[(4-chlorophenoxy)methyl](1,3,4-thiadiazol-2-yl)}[1-(4-methylphenyl)-5-ox opyrrolidin-3-yl]carboxamide
| Molecular Formula | C21H19ClN4O3S |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 4.07052 |
| Topological Polar Surface Area | 84.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.08664 |
| Heavy Atoms | 30 |
| Complexity | 1052.8733 |
Chemical Identifiers
| CAS Number | 825597-91-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)COC4=CC=C(C=C4)Cl |
Product Overview
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CAS 825597-91-9), with molecular formula C21H19ClN4O3S and molecular weight 442.09 g/mol. IUPAC: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
Chemical Property Profile of N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Property Insights of N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
The XLogP value of 4.07052 indicates that N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.42 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide. Following Lipinski's Rule of Five, N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has 1 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 N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The CAS number of N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is 825597-91-9.
What is the molecular formula of N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The molecular formula of N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is C21H19ClN4O3S.
What is the molecular weight of N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The molecular weight of N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is 442.09 g/mol.
Where can I buy N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
You can request a quote for N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-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-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.