4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide
TL;DR: 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide (CAS 431883-60-2) is a chemical compound with molecular formula C12H13ClN2OS and molecular weight 268.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide
Also Known As: 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide, UPCMLD0ENAT5880732:001, AB00115228-01, 4-chloro-N-(pyrrolidin-1-ylcarbonothioyl)benzamide, N'-(4-Chlorobenzoyl)-N-(pyrrolidin-1-yl)thiourea
| Molecular Formula | C12H13ClN2OS |
|---|---|
| Molecular Weight | 268.04 g/mol |
| LogP | 2.4505 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.0437 |
| Heavy Atoms | 17 |
| Complexity | 426.6367 |
Chemical Identifiers
| CAS Number | 431883-60-2 |
|---|---|
| SMILES | C1CCN(C1)C(=S)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide (CAS 431883-60-2), with molecular formula C12H13ClN2OS and molecular weight 268.04 g/mol. IUPAC: 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide.
Chemical Property Profile of 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide
Property Insights of 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide
The XLogP value of 2.4505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide. With a topological polar surface area (TPSA) of 32.34 Ų, 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide has 1 hydrogen bond donor(s) and 2 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 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide?
The CAS number of 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide is 431883-60-2.
What is the molecular formula of 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide?
The molecular formula of 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide is C12H13ClN2OS.
What is the molecular weight of 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide?
The molecular weight of 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide is 268.04 g/mol.
Where can I buy 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide?
You can request a quote for 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.