![N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide structure](/static/products/683/683786-42-7.png)
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide
TL;DR: N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide (CAS 683786-42-7) is a chemical compound with molecular formula C22H15Cl2N3O3S and molecular weight 471.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2,4-dichlorobenzamide
Also Known As: 1-[5-(1,3-BENZOXAZOL-2-YL)-2-METHOXYPHENYL]-3-(2,4-DICHLOROBENZOYL)THIOUREA, N-((5-(benzo[d]oxazol-2-yl)-2-methoxyphenyl)carbamothioyl)-2,4-dichlorobenzamide, N-[(5-benzooxazol-2-yl-2-methoxy-phenyl)thiocarbamoyl]-2,4-dichloro-benzamide, N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2,4-dichlorobenzamide, N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide
| Molecular Formula | C22H15Cl2N3O3S |
|---|---|
| Molecular Weight | 471.02 g/mol |
| LogP | 5.937 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.02112 |
| Heavy Atoms | 31 |
| Complexity | 1273.4058 |
Chemical Identifiers
| CAS Number | 683786-42-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide (CAS 683786-42-7), with molecular formula C22H15Cl2N3O3S and molecular weight 471.02 g/mol. IUPAC: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2,4-dichlorobenzamide.
Chemical Property Profile of N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide
Property Insights of N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide
The XLogP value of 5.937 indicates that N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide. Following Lipinski's Rule of Five, N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide?
The CAS number of N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide is 683786-42-7.
What is the molecular formula of N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide?
The molecular formula of N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide is C22H15Cl2N3O3S.
What is the molecular weight of N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide?
The molecular weight of N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide is 471.02 g/mol.
Where can I buy N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide?
You can request a quote for N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2,4-dichlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.