![N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide structure](/static/products/4284/428477-94-5.webp)
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide
TL;DR: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide (CAS 428477-94-5) is a chemical compound with molecular formula C23H19N3O3S and molecular weight 417.11 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]-3-methoxybenzamide
Also Known As: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide, N-{[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3-methoxybenzamide, N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-(3-methoxybenzoyl)thiourea
| Molecular Formula | C23H19N3O3S |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 4.93862 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.11472 |
| Heavy Atoms | 30 |
| Complexity | 1216.4209 |
Chemical Identifiers
| CAS Number | 428477-94-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OC)C3=NC4=CC=CC=C4O3 |
Product Overview
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide (CAS 428477-94-5), with molecular formula C23H19N3O3S and molecular weight 417.11 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide.
Chemical Property Profile of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide
Property Insights of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide
The XLogP value of 4.93862 indicates that N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide 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-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide. Following Lipinski's Rule of Five, N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide?
The CAS number of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide is 428477-94-5.
What is the molecular formula of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide?
The molecular formula of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide is C23H19N3O3S.
What is the molecular weight of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide?
The molecular weight of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide is 417.11 g/mol.
Where can I buy N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide?
You can request a quote for N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide 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]-3-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.