![N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide structure](/static/products/4894/489457-36-5.webp)
N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
TL;DR: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide (CAS 489457-36-5) is a chemical compound with molecular formula C18H16ClN3O2S and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
Also Known As: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide, N-{[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide, N-((2-(4-chlorophenyl)benzo[d]oxazol-5-yl)carbamothioyl)butyramide, N-butyryl-N'-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]thiourea, 3-BUTANOYL-1-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-5-YL]THIOUREA
| Molecular Formula | C18H16ClN3O2S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 4.7613 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.0652 |
| Heavy Atoms | 25 |
| Complexity | 921.7208 |
Chemical Identifiers
| CAS Number | 489457-36-5 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl |
Product Overview
N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide (CAS 489457-36-5), with molecular formula C18H16ClN3O2S and molecular weight 373.07 g/mol. IUPAC: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide.
Chemical Property Profile of N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
Property Insights of N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
The XLogP value of 4.7613 indicates that N-[[2-(4-chlorophenyl)-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 N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide. Following Lipinski's Rule of Five, N-[[2-(4-chlorophenyl)-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 N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide?
The CAS number of N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide is 489457-36-5.
What is the molecular formula of N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide?
The molecular formula of N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide is C18H16ClN3O2S.
What is the molecular weight of N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide?
The molecular weight of N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide is 373.07 g/mol.
Where can I buy N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide?
You can request a quote for N-[[2-(4-chlorophenyl)-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 N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.