1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
TL;DR: 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide (CAS 1009544-87-9) is a chemical compound with molecular formula C14H17N5O3S and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
Also Known As: ChemDiv3_014761, 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide, IDI1_030559, BAS 06970646, 1-[(4-methylphenyl)sulfonyl]-N-4H-1,2,4-triazol-4-ylprolinamide
| Molecular Formula | C14H17N5O3S |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 0.50992 |
| Topological Polar Surface Area | 97.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.10522 |
| Heavy Atoms | 23 |
| Complexity | 786.3301 |
Chemical Identifiers
| CAS Number | 1009544-87-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NN3C=NN=C3 |
Product Overview
1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide (CAS 1009544-87-9), with molecular formula C14H17N5O3S and molecular weight 335.11 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide.
Chemical Property Profile of 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
Property Insights of 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
The XLogP value of 0.50992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide. The TPSA of 97.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide. Following Lipinski's Rule of Five, 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide has 1 hydrogen bond donor(s) and 5 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 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide?
The CAS number of 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide is 1009544-87-9.
What is the molecular formula of 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide?
The molecular formula of 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide is C14H17N5O3S.
What is the molecular weight of 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide?
The molecular weight of 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide is 335.11 g/mol.
Where can I buy 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide?
You can request a quote for 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-Tosyl-N-(4H-1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.