![3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide structure](/static/products/4284/428461-54-5.webp)
3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide
TL;DR: 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide (CAS 428461-54-5) is a chemical compound with molecular formula C24H19Cl2N3O3S and molecular weight 499.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide
Also Known As: 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide, 3-chloro-N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-ethoxybenzamide, 3-chloro-N-[[4-chloro-3-(6-methylbenzooxazol-2-yl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide
| Molecular Formula | C24H19Cl2N3O3S |
|---|---|
| Molecular Weight | 499.05 g/mol |
| LogP | 6.63552 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.05243 |
| Heavy Atoms | 33 |
| Complexity | 1370.5808 |
Chemical Identifiers
| CAS Number | 428461-54-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=C(C=C4)C)Cl |
Product Overview
3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide (CAS 428461-54-5), with molecular formula C24H19Cl2N3O3S and molecular weight 499.05 g/mol. IUPAC: 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide.
Chemical Property Profile of 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide
Property Insights of 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide
The XLogP value of 6.63552 indicates that 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide. Following Lipinski's Rule of Five, 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide?
The CAS number of 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide is 428461-54-5.
What is the molecular formula of 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide?
The molecular formula of 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide is C24H19Cl2N3O3S.
What is the molecular weight of 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide?
The molecular weight of 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide is 499.05 g/mol.
Where can I buy 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide?
You can request a quote for 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.