3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
TL;DR: 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide (CAS 333738-56-0) is a chemical compound with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
Also Known As: 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide, BAS 02819614, 1-(3-Chloro-4-methoxy-benzoyl)-3-pyridin-3-yl-thiourea, N-(3-chloro-4-methoxybenzoyl)-N'-pyridin-3-ylthiourea
| Molecular Formula | C14H12ClN3O2S |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 2.8704 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.03387 |
| Heavy Atoms | 21 |
| Complexity | 664.5236 |
Chemical Identifiers
| CAS Number | 333738-56-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CN=CC=C2)Cl |
Product Overview
3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide (CAS 333738-56-0), with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol. IUPAC: 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide.
Chemical Property Profile of 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
Property Insights of 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
The XLogP value of 2.8704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide. Following Lipinski's Rule of Five, 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide has 2 hydrogen bond donor(s) and 4 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-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide?
The CAS number of 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide is 333738-56-0.
What is the molecular formula of 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide?
The molecular formula of 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide is C14H12ClN3O2S.
What is the molecular weight of 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide?
The molecular weight of 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide is 321.03 g/mol.
Where can I buy 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide?
You can request a quote for 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.