![3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide structure](/static/products/4320/432019-74-4.webp)
3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide
TL;DR: 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide (CAS 432019-74-4) is a chemical compound with molecular formula C20H21BrClN3O2S and molecular weight 481.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide
Also Known As: AN-023/40856804, 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide, 3-bromo-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)thiocarbamoyl]-4-ethoxy-benzamide, 3-bromo-N-{[(3-chloro-4-pyrrolidin-1-ylphenyl)amino]carbonothioyl}-4-ethoxybenzamide, 3-bromo-N-{[3-chloro-4-(pyrrolidin-1-yl)phenyl]carbamothioyl}-4-ethoxybenzamide
| Molecular Formula | C20H21BrClN3O2S |
|---|---|
| Molecular Weight | 481.02 g/mol |
| LogP | 5.2282 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.02264 |
| Heavy Atoms | 28 |
| Complexity | 887.7497 |
Chemical Identifiers
| CAS Number | 432019-74-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl)Br |
Product Overview
3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide (CAS 432019-74-4), with molecular formula C20H21BrClN3O2S and molecular weight 481.02 g/mol. IUPAC: 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide.
Chemical Property Profile of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide
Property Insights of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide
The XLogP value of 5.2282 indicates that 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide 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-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide?
The CAS number of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide is 432019-74-4.
What is the molecular formula of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide?
The molecular formula of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide is C20H21BrClN3O2S.
What is the molecular weight of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide?
The molecular weight of 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide is 481.02 g/mol.
Where can I buy 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide?
You can request a quote for 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.