![4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide structure](/static/products/866/866014-47-3.png)
4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide
TL;DR: 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide (CAS 866014-47-3) is a chemical compound with molecular formula C17H18ClN3OS and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
Also Known As: 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide, F1601-0468, 1-(4-TERT-BUTYLBENZOYL)-3-(2-CHLOROPYRIDIN-3-YL)THIOUREA, 4-(tert-butyl)-N-((2-chloropyridin-3-yl)carbamothioyl)benzamide
| Molecular Formula | C17H18ClN3OS |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.0859 |
| Heavy Atoms | 23 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 866014-47-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(N=CC=C2)Cl |
| InChIKey | MUZGBVLOJJYHRX-UHFFFAOYSA-N |
Product Overview
4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide (CAS 866014-47-3), with molecular formula C17H18ClN3OS and molecular weight 347.09 g/mol. IUPAC: 4-tert-butyl-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide.
Chemical Property Profile of 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide
Property Insights of 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide
The XLogP value of 5.1 indicates that 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide?
The CAS number of 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide is 866014-47-3.
What is the molecular formula of 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide?
The molecular formula of 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide is C17H18ClN3OS.
What is the molecular weight of 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide?
The molecular weight of 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide is 347.09 g/mol.
Where can I buy 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide?
You can request a quote for 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.