![N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide structure](/static/products/461/461654-80-8.png)
N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide
TL;DR: N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide (CAS 461654-80-8) is a chemical compound with molecular formula C24H22ClN3O2S and molecular weight 451.11 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]hexanamide
Also Known As: N-[[2-(5-chloronaphthalen-1-yl)benzooxazol-5-yl]thiocarbamoyl]hexanamide, N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)hexanamide, N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]hexanamide, N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide
| Molecular Formula | C24H22ClN3O2S |
|---|---|
| Molecular Weight | 451.11 g/mol |
| LogP | 6.6947 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.11212 |
| Heavy Atoms | 31 |
| Complexity | 1268.3977 |
Chemical Identifiers
| CAS Number | 461654-80-8 |
|---|---|
| SMILES | CCCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC4=C3C=CC=C4Cl |
Product Overview
N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide (CAS 461654-80-8), with molecular formula C24H22ClN3O2S and molecular weight 451.11 g/mol. IUPAC: N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]hexanamide.
Chemical Property Profile of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide
Property Insights of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide
The XLogP value of 6.6947 indicates that N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide 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)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide. Following Lipinski's Rule of Five, N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide 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)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide?
The CAS number of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide is 461654-80-8.
What is the molecular formula of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide?
The molecular formula of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide is C24H22ClN3O2S.
What is the molecular weight of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide?
The molecular weight of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide is 451.11 g/mol.
Where can I buy N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide?
You can request a quote for N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide 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)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}hexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.