![N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide structure](/static/products/6388/6388-89-2.webp)
N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide
TL;DR: N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide (CAS 6388-89-2) is a chemical compound with molecular formula C22H16ClN3O2S and molecular weight 421.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methylbenzamide
Also Known As: 2-Octanol,1-ethoxy-,acetate, N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide, Ethanamine,N-ethyl-2-[(8-ethyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-, N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methylbenzamide, N-({[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]amino}carbonothioyl)-4-methylbenzamide
| Molecular Formula | C22H16ClN3O2S |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 5.58342 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.0652 |
| Heavy Atoms | 29 |
| Complexity | 1218.4497 |
Chemical Identifiers
| CAS Number | 6388-89-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl |
Product Overview
N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide (CAS 6388-89-2), with molecular formula C22H16ClN3O2S and molecular weight 421.07 g/mol. IUPAC: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methylbenzamide.
Chemical Property Profile of N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide
Property Insights of N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide
The XLogP value of 5.58342 indicates that N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide 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-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide. Following Lipinski's Rule of Five, N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide 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-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide?
The CAS number of N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide is 6388-89-2.
What is the molecular formula of N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide?
The molecular formula of N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide is C22H16ClN3O2S.
What is the molecular weight of N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide?
The molecular weight of N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide is 421.07 g/mol.
Where can I buy N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide?
You can request a quote for N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.