![4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide structure](/static/products/530/530132-30-0.png)
4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide
TL;DR: 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide (CAS 530132-30-0) 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.
4-chloro-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
Also Known As: 4-chloro-N-((2-(m-tolyl)benzo[d]oxazol-5-yl)carbamothioyl)butanamide, 4-chloro-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide, 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide
| Molecular Formula | C19H18ClN3O2S |
|---|---|
| Molecular Weight | 387.08 g/mol |
| LogP | 4.63522 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.0808 |
| Heavy Atoms | 26 |
| Complexity | 954.8622 |
Chemical Identifiers
| CAS Number | 530132-30-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CCCCl |
Product Overview
4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide (CAS 530132-30-0), with molecular formula C19H18ClN3O2S and molecular weight 387.08 g/mol. IUPAC: 4-chloro-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide.
Chemical Property Profile of 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide
Property Insights of 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide
The XLogP value of 4.63522 indicates that 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]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 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide. Following Lipinski's Rule of Five, 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide?
The CAS number of 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide is 530132-30-0.
What is the molecular formula of 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide?
The molecular formula of 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide is C19H18ClN3O2S.
What is the molecular weight of 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide?
The molecular weight of 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide is 387.08 g/mol.
Where can I buy 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide?
You can request a quote for 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.