![N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide structure](/static/products/4284/428448-11-7.webp)
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide
TL;DR: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide (CAS 428448-11-7) is a chemical compound with molecular formula C22H16FN3O2S and molecular weight 405.09 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)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide
Also Known As: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide, 1-[3-(1,3-BENZOXAZOL-2-YL)-2-METHYLPHENYL]-3-(4-FLUOROBENZOYL)THIOUREA, N-((3-(benzo[d]oxazol-2-yl)-2-methylphenyl)carbamothioyl)-4-fluorobenzamide, N-{[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-4-fluorobenzamide
| Molecular Formula | C22H16FN3O2S |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 5.06912 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.09473 |
| Heavy Atoms | 29 |
| Complexity | 1185.4497 |
Chemical Identifiers
| CAS Number | 428448-11-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4O3 |
Product Overview
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide (CAS 428448-11-7), with molecular formula C22H16FN3O2S and molecular weight 405.09 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide
Property Insights of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide
The XLogP value of 5.06912 indicates that N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide 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)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide. Following Lipinski's Rule of Five, N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide 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)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide?
The CAS number of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide is 428448-11-7.
What is the molecular formula of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide?
The molecular formula of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide is C22H16FN3O2S.
What is the molecular weight of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide?
The molecular weight of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide is 405.09 g/mol.
Where can I buy N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide?
You can request a quote for N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide 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)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.