![3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide structure](/static/products/3352/335213-70-2.webp)
3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
TL;DR: 3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide (CAS 335213-70-2) is a chemical compound with molecular formula C22H18N4O4S and molecular weight 434.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
Also Known As: BAS 02818660, 1-(3,4-Dimethoxy-benzoyl)-3-(2-pyridin-4-yl-benzooxazol-5-yl)-thiourea, N-(3,4-dimethoxybenzoyl)-N'-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)thiourea, 3,4-dimethoxy-N-((2-(pyridin-4-yl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide, 3,4-dimethoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
| Molecular Formula | C22H18N4O4S |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | 4.0338 |
| Topological Polar Surface Area | 98.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.1049 |
| Heavy Atoms | 31 |
| Complexity | 1257.1033 |
Chemical Identifiers
| CAS Number | 335213-70-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)OC |
Product Overview
3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide (CAS 335213-70-2), with molecular formula C22H18N4O4S and molecular weight 434.10 g/mol. IUPAC: 3,4-dimethoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Property Insights of 3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
The XLogP value of 4.0338 indicates that 3,4-dimethoxy-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 98.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide. Following Lipinski's Rule of Five, 3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide has 2 hydrogen bond donor(s) and 7 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-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
The CAS number of 3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide is 335213-70-2.
What is the molecular formula of 3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
The molecular formula of 3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide is C22H18N4O4S.
What is the molecular weight of 3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
The molecular weight of 3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide is 434.10 g/mol.
Where can I buy 3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
You can request a quote for 3,4-dimethoxy-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 3,4-dimethoxy-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethoxy-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.