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N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide
TL;DR: N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide (CAS 6000-54-0) is a chemical compound with molecular formula C21H15N3O4 and molecular weight 373.11 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)phenyl]-2-methyl-3-nitrobenzamide
Also Known As: MixCom6_002178, N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide, BIM-0040253.P001, AB00101818-01
| Molecular Formula | C21H15N3O4 |
|---|---|
| Molecular Weight | 373.11 g/mol |
| LogP | 4.96372 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.10626 |
| Heavy Atoms | 28 |
| Complexity | 1180.2378 |
Chemical Identifiers
| CAS Number | 6000-54-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3 |
Product Overview
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide (CAS 6000-54-0), with molecular formula C21H15N3O4 and molecular weight 373.11 g/mol. IUPAC: N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide
Property Insights of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide
The XLogP value of 4.96372 indicates that N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide has 1 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)phenyl]-2-methyl-3-nitrobenzamide?
The CAS number of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide is 6000-54-0.
What is the molecular formula of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide?
The molecular formula of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide is C21H15N3O4.
What is the molecular weight of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide?
The molecular weight of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide is 373.11 g/mol.
Where can I buy N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide?
You can request a quote for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-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-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.