![N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide structure](/static/products/4320/432002-51-2.webp)
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
TL;DR: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 432002-51-2) is a chemical compound with molecular formula C21H24ClN3O4S and molecular weight 449.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Also Known As: AB00117335-01, N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide, N-{[3-chloro-4-(pyrrolidin-1-yl)phenyl]carbamothioyl}-3,4,5-trimethoxybenzamide, N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide
| Molecular Formula | C21H24ClN3O4S |
|---|---|
| Molecular Weight | 449.12 g/mol |
| LogP | 4.0928 |
| Topological Polar Surface Area | 72.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.1176 |
| Heavy Atoms | 30 |
| Complexity | 922.839 |
Chemical Identifiers
| CAS Number | 432002-51-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl |
Product Overview
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 432002-51-2), with molecular formula C21H24ClN3O4S and molecular weight 449.12 g/mol. IUPAC: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Property Insights of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
The XLogP value of 4.0928 indicates that N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide has 2 hydrogen bond donor(s) and 6 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-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The CAS number of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide is 432002-51-2.
What is the molecular formula of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular formula of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide is C21H24ClN3O4S.
What is the molecular weight of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular weight of N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide is 449.12 g/mol.
Where can I buy N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
You can request a quote for N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.