![3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide structure](/static/products/3801/380158-66-7.webp)
3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide
TL;DR: 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide (CAS 380158-66-7) is a chemical compound with molecular formula C25H22ClN3O3S and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide
Also Known As: 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide, 3-chloro-N-((5-(5,6-dimethylbenzo[d]oxazol-2-yl)-2-methylphenyl)carbamothioyl)-4-methoxybenzamide, 3-chloro-N-[[5-(5,6-dimethylbenzooxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-methoxy-benzamide, 3-chloro-N-{[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-4-methoxybenzamide
| Molecular Formula | C25H22ClN3O3S |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 6.20886 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.10703 |
| Heavy Atoms | 33 |
| Complexity | 1358.4237 |
Chemical Identifiers
| CAS Number | 380158-66-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C(=C3)C)C)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Cl |
Product Overview
3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide (CAS 380158-66-7), with molecular formula C25H22ClN3O3S and molecular weight 479.11 g/mol. IUPAC: 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide
Property Insights of 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide
The XLogP value of 6.20886 indicates that 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide 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-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide. Following Lipinski's Rule of Five, 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide 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-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide?
The CAS number of 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide is 380158-66-7.
What is the molecular formula of 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide?
The molecular formula of 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide is C25H22ClN3O3S.
What is the molecular weight of 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide?
The molecular weight of 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide is 479.11 g/mol.
Where can I buy 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide?
You can request a quote for 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide 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-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.