![N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide structure](/static/products/4284/428449-85-8.webp)
N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide
TL;DR: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide (CAS 428449-85-8) is a chemical compound with molecular formula C23H18ClN3O2S and molecular weight 435.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide
Also Known As: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide, N-{[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl}-3,4-dimethylbenzamide
| Molecular Formula | C23H18ClN3O2S |
|---|---|
| Molecular Weight | 435.08 g/mol |
| LogP | 5.89184 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.0808 |
| Heavy Atoms | 30 |
| Complexity | 1249.6798 |
Chemical Identifiers
| CAS Number | 428449-85-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)Cl)C |
Product Overview
N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide (CAS 428449-85-8), with molecular formula C23H18ClN3O2S and molecular weight 435.08 g/mol. IUPAC: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide.
Chemical Property Profile of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide
Property Insights of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide
The XLogP value of 5.89184 indicates that N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide. Following Lipinski's Rule of Five, N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide?
The CAS number of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide is 428449-85-8.
What is the molecular formula of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide?
The molecular formula of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide is C23H18ClN3O2S.
What is the molecular weight of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide?
The molecular weight of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide is 435.08 g/mol.
Where can I buy N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide?
You can request a quote for N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.