C45H33N7O2
TL;DR: C45H33N7O2 (CAS 134248-68-3) is a chemical compound with molecular formula C45H33N7O2 and molecular weight 703.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-N-(2-methylanilino)-C-phenylcarbonimidoyl]imino-4-[(4Z)-5-oxo-2-phenyl-4-[(2-phenyl-1H-indol-3-yl)methylidene]imidazol-1-yl]benzamide
Also Known As: Benzoic acid, 4-(4,5-dihydro-5-oxo-2-phenyl-4-((2-phenyl-1H-indol-3-yl)methylene)-1H-imidazol-1-yl)-, (((2-methylphenyl)azo)phenylmethylene)hydrazide
| Molecular Formula | C45H33N7O2 |
|---|---|
| Molecular Weight | 703.27 g/mol |
| LogP | 10.04412 |
| Topological Polar Surface Area | 114.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 703.2696 |
| Heavy Atoms | 54 |
| Complexity | 2608.4084 |
Chemical Identifiers
| CAS Number | 134248-68-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N/N=C(\C2=CC=CC=C2)/N=NC(=O)C3=CC=C(C=C3)N4C(=N/C(=C\C5=C(NC6=CC=CC=C65)C7=CC=CC=C7)/C4=O)C8=CC=CC=C8 |
Product Overview
C45H33N7O2 (CAS 134248-68-3), with molecular formula C45H33N7O2 and molecular weight 703.27 g/mol. IUPAC: N-[(E)-N-(2-methylanilino)-C-phenylcarbonimidoyl]imino-4-[(4Z)-5-oxo-2-phenyl-4-[(2-phenyl-1H-indol-3-yl)methylidene]imidazol-1-yl]benzamide.
Chemical Property Profile of C45H33N7O2
Property Insights of C45H33N7O2
The XLogP value of 10.04412 indicates that C45H33N7O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.64 Ų falls within the moderate polarity range, balancing permeability and solubility for C45H33N7O2. Following Lipinski's Rule of Five, C45H33N7O2 has 2 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 C45H33N7O2?
The CAS number of C45H33N7O2 is 134248-68-3.
What is the molecular formula of C45H33N7O2?
The molecular formula of C45H33N7O2 is C45H33N7O2.
What is the molecular weight of C45H33N7O2?
The molecular weight of C45H33N7O2 is 703.27 g/mol.
Where can I buy C45H33N7O2?
You can request a quote for C45H33N7O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C45H33N7O2?
Yes, KEHONG BIO provides custom synthesis services for C45H33N7O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.