![N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide structure](/static/products/462/462088-35-3.png)
N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide
TL;DR: N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide (CAS 462088-35-3) is a chemical compound with molecular formula C21H16ClN3O2S and molecular weight 409.07 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]propanamide
Also Known As: N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)propionamide, N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide, N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide
| Molecular Formula | C21H16ClN3O2S |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 5.5244 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.0652 |
| Heavy Atoms | 28 |
| Complexity | 1218.9575 |
Chemical Identifiers
| CAS Number | 462088-35-3 |
|---|---|
| SMILES | CCC(=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}propanamide (CAS 462088-35-3), with molecular formula C21H16ClN3O2S and molecular weight 409.07 g/mol. IUPAC: N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide.
Chemical Property Profile of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide
Property Insights of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide
The XLogP value of 5.5244 indicates that N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide 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}propanamide. Following Lipinski's Rule of Five, N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide 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}propanamide?
The CAS number of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide is 462088-35-3.
What is the molecular formula of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide?
The molecular formula of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide is C21H16ClN3O2S.
What is the molecular weight of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide?
The molecular weight of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide is 409.07 g/mol.
Where can I buy N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide?
You can request a quote for N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide 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}propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.