![N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide structure](/static/products/4284/428490-84-0.webp)
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide
TL;DR: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide (CAS 428490-84-0) is a chemical compound with molecular formula C21H14ClN3O2S and molecular weight 407.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide
Also Known As: AM-879/40860990, N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide, N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-chlorobenzamide, N-[3-(1,3-benzoxazol-2-yl)phenyl]-N'-(2-chlorobenzoyl)thiourea
| Molecular Formula | C21H14ClN3O2S |
|---|---|
| Molecular Weight | 407.05 g/mol |
| LogP | 5.275 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.04953 |
| Heavy Atoms | 28 |
| Complexity | 1155.973 |
Chemical Identifiers
| CAS Number | 428490-84-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)Cl |
Product Overview
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide (CAS 428490-84-0), with molecular formula C21H14ClN3O2S and molecular weight 407.05 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide.
Chemical Property Profile of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide
Property Insights of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide
The XLogP value of 5.275 indicates that N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide 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-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide. Following Lipinski's Rule of Five, N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide 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-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide?
The CAS number of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide is 428490-84-0.
What is the molecular formula of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide?
The molecular formula of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide is C21H14ClN3O2S.
What is the molecular weight of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide?
The molecular weight of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide is 407.05 g/mol.
Where can I buy N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide?
You can request a quote for N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.