![3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide structure](/static/products/4296/429654-03-5.webp)
3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
TL;DR: 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide (CAS 429654-03-5) is a chemical compound with molecular formula C18H17Cl2N3OS and molecular weight 393.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
Also Known As: AB00111819-01, 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide, 3,4-dichloro-N-{[4-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide
| Molecular Formula | C18H17Cl2N3OS |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 4.7204 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.04694 |
| Heavy Atoms | 25 |
| Complexity | 789.4082 |
Chemical Identifiers
| CAS Number | 429654-03-5 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide (CAS 429654-03-5), with molecular formula C18H17Cl2N3OS and molecular weight 393.05 g/mol. IUPAC: 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
Property Insights of 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
The XLogP value of 4.7204 indicates that 3,4-dichloro-N-[(4-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 44.37 Ų, 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide has 2 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 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The CAS number of 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is 429654-03-5.
What is the molecular formula of 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The molecular formula of 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is C18H17Cl2N3OS.
What is the molecular weight of 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
The molecular weight of 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide is 393.05 g/mol.
Where can I buy 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
You can request a quote for 3,4-dichloro-N-[(4-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 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.