![2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide structure](/static/products/5800/5800-55-5.webp)
2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide
TL;DR: 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide (CAS 5800-55-5) is a chemical compound with molecular formula C23H18ClN3O4 and molecular weight 435.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide
Also Known As: 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide
| Molecular Formula | C23H18ClN3O4 |
|---|---|
| Molecular Weight | 435.10 g/mol |
| LogP | 6.23396 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.09857 |
| Heavy Atoms | 31 |
| Complexity | 1321.6931 |
Chemical Identifiers
| CAS Number | 5800-55-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C(=C3)C)C)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl |
Product Overview
2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide (CAS 5800-55-5), with molecular formula C23H18ClN3O4 and molecular weight 435.10 g/mol. IUPAC: 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide.
Chemical Property Profile of 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide
Property Insights of 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide
The XLogP value of 6.23396 indicates that 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-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 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide has 1 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 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide?
The CAS number of 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide is 5800-55-5.
What is the molecular formula of 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide?
The molecular formula of 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide is C23H18ClN3O4.
What is the molecular weight of 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide?
The molecular weight of 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide is 435.10 g/mol.
Where can I buy 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide?
You can request a quote for 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.