![N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide structure](/static/products/462/462622-33-9.png)
N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide
TL;DR: N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide (CAS 462622-33-9) is a chemical compound with molecular formula C22H18ClN3O2S and molecular weight 423.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide
Also Known As: N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide, N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide, N-[[2-(5-chloronaphthalen-1-yl)benzooxazol-5-yl]thiocarbamoyl]-2-methyl-propanamide, N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-methylpropanamide
| Molecular Formula | C22H18ClN3O2S |
|---|---|
| Molecular Weight | 423.08 g/mol |
| LogP | 5.7704 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.0808 |
| Heavy Atoms | 29 |
| Complexity | 1249.5121 |
Chemical Identifiers
| CAS Number | 462622-33-9 |
|---|---|
| SMILES | CC(C)C(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC4=C3C=CC=C4Cl |
Product Overview
N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide (CAS 462622-33-9), with molecular formula C22H18ClN3O2S and molecular weight 423.08 g/mol. IUPAC: N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide.
Chemical Property Profile of N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide
Property Insights of N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide
The XLogP value of 5.7704 indicates that N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide 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-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide. Following Lipinski's Rule of Five, N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide 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-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide?
The CAS number of N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide is 462622-33-9.
What is the molecular formula of N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide?
The molecular formula of N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide is C22H18ClN3O2S.
What is the molecular weight of N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide?
The molecular weight of N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide is 423.08 g/mol.
Where can I buy N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide?
You can request a quote for N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide?
Yes, KEHONG BIO provides custom synthesis services for N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.