![5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide structure](/static/products/4319/431911-01-2.webp)
5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide
TL;DR: 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide (CAS 431911-01-2) is a chemical compound with molecular formula C19H19BrClN3O2S and molecular weight 467.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide
Also Known As: AN-465/41162791, 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide, 5-bromo-N-{[3-chloro-4-(pyrrolidin-1-yl)phenyl]carbamothioyl}-2-methoxybenzamide, N-(5-bromo-2-methoxybenzoyl)-N'-[3-chloro-4-(1-pyrrolidinyl)phenyl]thiourea
| Molecular Formula | C19H19BrClN3O2S |
|---|---|
| Molecular Weight | 467.01 g/mol |
| LogP | 4.8381 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.007 |
| Heavy Atoms | 27 |
| Complexity | 872.02844 |
Chemical Identifiers
| CAS Number | 431911-01-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl |
Product Overview
5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide (CAS 431911-01-2), with molecular formula C19H19BrClN3O2S and molecular weight 467.01 g/mol. IUPAC: 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide.
Chemical Property Profile of 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide
Property Insights of 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide
The XLogP value of 4.8381 indicates that 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide 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 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide?
The CAS number of 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide is 431911-01-2.
What is the molecular formula of 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide?
The molecular formula of 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide is C19H19BrClN3O2S.
What is the molecular weight of 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide?
The molecular weight of 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide is 467.01 g/mol.
Where can I buy 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide?
You can request a quote for 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.