N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide
TL;DR: N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide (CAS 701941-57-3) is a chemical compound with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide
Also Known As: N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide, [(2-methoxy-4-nitrophenyl)amino]pyrrolidinylmethane-1-thione
| Molecular Formula | C12H15N3O3S |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 2.396 |
| Topological Polar Surface Area | 67.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.0834 |
| Heavy Atoms | 19 |
| Complexity | 500.993 |
Chemical Identifiers
| CAS Number | 701941-57-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCCC2 |
Product Overview
N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide (CAS 701941-57-3), with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol. IUPAC: N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide.
Chemical Property Profile of N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide
Property Insights of N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide
The XLogP value of 2.396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide. The TPSA of 67.64 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide. Following Lipinski's Rule of Five, N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide 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-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide?
The CAS number of N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide is 701941-57-3.
What is the molecular formula of N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide?
The molecular formula of N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide is C12H15N3O3S.
What is the molecular weight of N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide?
The molecular weight of N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide is 281.08 g/mol.
Where can I buy N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide?
You can request a quote for N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.