![4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide structure](/static/products/5932/593238-82-5.webp)
4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide
TL;DR: 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide (CAS 593238-82-5) is a chemical compound with molecular formula C31H26ClN3O4S and molecular weight 571.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methoxy]-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxybenzamide
Also Known As: 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide, 4-[(4-chlorophenyl)methoxy]-N-[[4-(5,7-dimethyl-1,3-benzoxaz, 4-[(4-chlorophenyl)methoxy]-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxybenzamide, BENZAMIDE, 4-[(4-CHLOROPHENYL)METHOXY]-N-[[[4-(5,7-DIMETHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-3-METHOXY-, 4-((4-Chlorobenzyl)oxy)-N-((4-(5,7-dimethylbenzo[d]oxazol-2-yl)phenyl)carbamothioyl)-3-methoxybenzamide
| Molecular Formula | C31H26ClN3O4S |
|---|---|
| Molecular Weight | 571.13 g/mol |
| LogP | 7.47944 |
| Topological Polar Surface Area | 85.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 571.13324 |
| Heavy Atoms | 40 |
| Complexity | 1699.0912 |
Chemical Identifiers
| CAS Number | 593238-82-5 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)Cl)OC)C |
Product Overview
4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide (CAS 593238-82-5), with molecular formula C31H26ClN3O4S and molecular weight 571.13 g/mol. IUPAC: 4-[(4-chlorophenyl)methoxy]-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxybenzamide.
Chemical Property Profile of 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide
Property Insights of 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide
The XLogP value of 7.47944 indicates that 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide. Following Lipinski's Rule of Five, 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide?
The CAS number of 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide is 593238-82-5.
What is the molecular formula of 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide?
The molecular formula of 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide is C31H26ClN3O4S.
What is the molecular weight of 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide?
The molecular weight of 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide is 571.13 g/mol.
Where can I buy 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide?
You can request a quote for 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-chlorobenzyl)oxy]-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.