![3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide structure](/static/products/3352/335213-14-4.webp)
3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide
TL;DR: 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide (CAS 335213-14-4) is a chemical compound with molecular formula C22H21N3OS and molecular weight 375.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
Also Known As: 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide, 3,4-dimethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide, (3,4-dimethylphenyl)-N-({[4-(4-pyridylmethyl)phenyl]amino}thioxomethyl)carboxa mide, 3-(3,4-DIMETHYLBENZOYL)-1-{4-[(PYRIDIN-4-YL)METHYL]PHENYL}THIOUREA
| Molecular Formula | C22H21N3OS |
|---|---|
| Molecular Weight | 375.14 g/mol |
| LogP | 4.41604 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.14053 |
| Heavy Atoms | 27 |
| Complexity | 953.05176 |
Chemical Identifiers
| CAS Number | 335213-14-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)C |
Product Overview
3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide (CAS 335213-14-4), with molecular formula C22H21N3OS and molecular weight 375.14 g/mol. IUPAC: 3,4-dimethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide
Property Insights of 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide
The XLogP value of 4.41604 indicates that 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]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-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide?
The CAS number of 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide is 335213-14-4.
What is the molecular formula of 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide?
The molecular formula of 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide is C22H21N3OS.
What is the molecular weight of 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide?
The molecular weight of 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide is 375.14 g/mol.
Where can I buy 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide?
You can request a quote for 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]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-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.