![3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide structure](/static/products/5315/531547-96-3.webp)
3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
TL;DR: 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide (CAS 531547-96-3) is a chemical compound with molecular formula C19H20ClN3O2S and molecular weight 389.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
Also Known As: 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide, 3-chloro-4-methoxy-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)benzamide, AN-465/41598451, 3-chloro-4-methoxy-N-{[2-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide, N-(3-chloro-4-methoxybenzoyl)-N'-[2-(1-pyrrolidinyl)phenyl]thiourea
| Molecular Formula | C19H20ClN3O2S |
|---|---|
| Molecular Weight | 389.10 g/mol |
| LogP | 4.0756 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.09647 |
| Heavy Atoms | 26 |
| Complexity | 822.1816 |
Chemical Identifiers
| CAS Number | 531547-96-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3)Cl |
Product Overview
3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide (CAS 531547-96-3), with molecular formula C19H20ClN3O2S and molecular weight 389.10 g/mol. IUPAC: 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
Property Insights of 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
The XLogP value of 4.0756 indicates that 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide has 2 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 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The CAS number of 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is 531547-96-3.
What is the molecular formula of 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The molecular formula of 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is C19H20ClN3O2S.
What is the molecular weight of 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The molecular weight of 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is 389.10 g/mol.
Where can I buy 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
You can request a quote for 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.