![3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide structure](/static/products/4284/428462-00-4.webp)
3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
TL;DR: 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide (CAS 428462-00-4) is a chemical compound with molecular formula C21H16N4O3S and molecular weight 404.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
Also Known As: AB00108066-01, 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide, 3-methoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
| Molecular Formula | C21H16N4O3S |
|---|---|
| Molecular Weight | 404.09 g/mol |
| LogP | 4.0252 |
| Topological Polar Surface Area | 89.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.0943 |
| Heavy Atoms | 29 |
| Complexity | 1190.993 |
Chemical Identifiers
| CAS Number | 428462-00-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4 |
Product Overview
3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide (CAS 428462-00-4), with molecular formula C21H16N4O3S and molecular weight 404.09 g/mol. IUPAC: 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
Property Insights of 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
The XLogP value of 4.0252 indicates that 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 6 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-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
The CAS number of 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide is 428462-00-4.
What is the molecular formula of 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
The molecular formula of 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide is C21H16N4O3S.
What is the molecular weight of 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
The molecular weight of 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide is 404.09 g/mol.
Where can I buy 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
You can request a quote for 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-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 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.