N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
TL;DR: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide (CAS 6382-63-4) is a chemical compound with molecular formula C23H19N3O6 and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
Also Known As: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide, AB01310441-01, N-[2-(3,4-dimethoxyphenyl)benzoxazol-5-yl](4-methyl-3-nitrophenyl)carboxamide
| Molecular Formula | C23H19N3O6 |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 4.98092 |
| Topological Polar Surface Area | 116.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.12738 |
| Heavy Atoms | 32 |
| Complexity | 1345.0719 |
Chemical Identifiers
| CAS Number | 6382-63-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)OC)OC)[N+](=O)[O-] |
Product Overview
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide (CAS 6382-63-4), with molecular formula C23H19N3O6 and molecular weight 433.13 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide.
Chemical Property Profile of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
Property Insights of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
The XLogP value of 4.98092 indicates that N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.73 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide has 1 hydrogen bond donor(s) and 7 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-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide?
The CAS number of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide is 6382-63-4.
What is the molecular formula of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide?
The molecular formula of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide is C23H19N3O6.
What is the molecular weight of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide?
The molecular weight of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide is 433.13 g/mol.
Where can I buy N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide?
You can request a quote for N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.