![2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide structure](/static/products/6109/6109-82-6.webp)
2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
TL;DR: 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide (CAS 6109-82-6) is a chemical compound with molecular formula C21H13Cl2N3O2S and molecular weight 441.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
Also Known As: BIM-0045482.P001, 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide, 2-chloro-N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide, 1-[4-(5-CHLORO-1,3-BENZOXAZOL-2-YL)PHENYL]-3-(2-CHLOROBENZOYL)THIOUREA, 2-chloro-N-({[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]amino}carbonothioyl)benzamide
| Molecular Formula | C21H13Cl2N3O2S |
|---|---|
| Molecular Weight | 441.01 g/mol |
| LogP | 5.9284 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.01056 |
| Heavy Atoms | 29 |
| Complexity | 1222.3186 |
Chemical Identifiers
| CAS Number | 6109-82-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl)Cl |
Product Overview
2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide (CAS 6109-82-6), with molecular formula C21H13Cl2N3O2S and molecular weight 441.01 g/mol. IUPAC: 2-chloro-N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
Property Insights of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
The XLogP value of 5.9284 indicates that 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide 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 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide. Following Lipinski's Rule of Five, 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide 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 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide?
The CAS number of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide is 6109-82-6.
What is the molecular formula of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide?
The molecular formula of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide is C21H13Cl2N3O2S.
What is the molecular weight of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide?
The molecular weight of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide is 441.01 g/mol.
Where can I buy 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide?
You can request a quote for 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.