4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
TL;DR: 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide (CAS 642958-21-2) is a chemical compound with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
Also Known As: 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide, 4-methoxy-N-(1-pyrrolidinylcarbothioyl)benzamide, 4-methoxy-N-(1-pyrrolidinylcarbonothioyl)benzamide, AN-329/41573271, 4-methoxy-N-(pyrrolidin-1-ylcarbonothioyl)benzamide
| Molecular Formula | C13H16N2O2S |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 1.8057 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.09326 |
| Heavy Atoms | 18 |
| Complexity | 438.8094 |
Chemical Identifiers
| CAS Number | 642958-21-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC(=S)N2CCCC2 |
Product Overview
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide (CAS 642958-21-2), with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol. IUPAC: 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide.
Chemical Property Profile of 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
Property Insights of 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
The XLogP value of 1.8057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide. With a topological polar surface area (TPSA) of 41.57 Ų, 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide has 1 hydrogen bond donor(s) and 3 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 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide?
The CAS number of 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide is 642958-21-2.
What is the molecular formula of 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide?
The molecular formula of 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide is C13H16N2O2S.
What is the molecular weight of 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide?
The molecular weight of 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide is 264.09 g/mol.
Where can I buy 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide?
You can request a quote for 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.