ChemDiv3_015889
TL;DR: ChemDiv3_015889 (CAS 1037024-31-9) is a chemical compound with molecular formula C21H20N4O5S and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-5-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
Also Known As: ChemDiv3_015889, 1-[(4-methylphenyl)sulfonyl]-5-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]prolinamide, 5-oxo-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)-1-tosylpyrrolidine-2-carboxamide, 1-(4-methylphenyl)sulfonyl-5-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
| Molecular Formula | C21H20N4O5S |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 2.04112 |
| Topological Polar Surface Area | 122.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.11545 |
| Heavy Atoms | 31 |
| Complexity | 1206.0818 |
Chemical Identifiers
| CAS Number | 1037024-31-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NCC3=NC(=NO3)C4=CC=CC=C4 |
Product Overview
ChemDiv3_015889 (CAS 1037024-31-9), with molecular formula C21H20N4O5S and molecular weight 440.12 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-5-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of ChemDiv3_015889
Property Insights of ChemDiv3_015889
The XLogP value of 2.04112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_015889. The TPSA of 122.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_015889. Following Lipinski's Rule of Five, ChemDiv3_015889 has 1 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 ChemDiv3_015889?
The CAS number of ChemDiv3_015889 is 1037024-31-9.
What is the molecular formula of ChemDiv3_015889?
The molecular formula of ChemDiv3_015889 is C21H20N4O5S.
What is the molecular weight of ChemDiv3_015889?
The molecular weight of ChemDiv3_015889 is 440.12 g/mol.
Where can I buy ChemDiv3_015889?
You can request a quote for ChemDiv3_015889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015889?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.