![N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide structure](/static/products/4894/489457-41-2.webp)
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide
TL;DR: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide (CAS 489457-41-2) is a chemical compound with molecular formula C19H18ClN3O2S and molecular weight 387.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide
Also Known As: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide, N-{[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}butanamide, N-butyryl-N'-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiourea, N-((3-(5-chlorobenzo[d]oxazol-2-yl)-2-methylphenyl)carbamothioyl)butyramide, N-({[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]amino}carbonothioyl)butanamide
| Molecular Formula | C19H18ClN3O2S |
|---|---|
| Molecular Weight | 387.08 g/mol |
| LogP | 5.06972 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.0808 |
| Heavy Atoms | 26 |
| Complexity | 984.0747 |
Chemical Identifiers
| CAS Number | 489457-41-2 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=CC=CC(=C1C)C2=NC3=C(O2)C=CC(=C3)Cl |
Product Overview
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide (CAS 489457-41-2), with molecular formula C19H18ClN3O2S and molecular weight 387.08 g/mol. IUPAC: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide.
Chemical Property Profile of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide
Property Insights of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide
The XLogP value of 5.06972 indicates that N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide 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-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide. Following Lipinski's Rule of Five, N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide 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-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide?
The CAS number of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide is 489457-41-2.
What is the molecular formula of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide?
The molecular formula of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide is C19H18ClN3O2S.
What is the molecular weight of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide?
The molecular weight of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide is 387.08 g/mol.
Where can I buy N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide?
You can request a quote for N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.