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N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide
TL;DR: N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide (CAS 431925-29-0) 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.
N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
Also Known As: AB00116711-01, N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide, N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
| Molecular Formula | C23H18ClN3O4 |
|---|---|
| Molecular Weight | 435.10 g/mol |
| LogP | 6.4321 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.09857 |
| Heavy Atoms | 31 |
| Complexity | 1313.428 |
Chemical Identifiers
| CAS Number | 431925-29-0 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide (CAS 431925-29-0), with molecular formula C23H18ClN3O4 and molecular weight 435.10 g/mol. IUPAC: N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide.
Chemical Property Profile of N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide
Property Insights of N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide
The XLogP value of 6.4321 indicates that N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-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-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide. Following Lipinski's Rule of Five, N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-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 N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide?
The CAS number of N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide is 431925-29-0.
What is the molecular formula of N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide?
The molecular formula of N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide is C23H18ClN3O4.
What is the molecular weight of N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide?
The molecular weight of N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide is 435.10 g/mol.
Where can I buy N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide?
You can request a quote for N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-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-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.