C36H31N7O4
TL;DR: C36H31N7O4 (CAS 134248-54-7) is a chemical compound with molecular formula C36H31N7O4 and molecular weight 625.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-C-(3,4-dimethoxyphenyl)-N-(2-methylanilino)carbonimidoyl]imino-4-[(4E)-4-(1H-indol-3-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]benzamide
Also Known As: Benzoic acid, 4-(4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-, ((3,4-dimethoxyphenyl)((2-methylphenyl)azo)methylene)hydrazide
| Molecular Formula | C36H31N7O4 |
|---|---|
| Molecular Weight | 625.24 g/mol |
| LogP | 7.36592 |
| Topological Polar Surface Area | 133.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 625.2438 |
| Heavy Atoms | 47 |
| Complexity | 2109.6028 |
Chemical Identifiers
| CAS Number | 134248-54-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N/N=C(\C2=CC(=C(C=C2)OC)OC)/N=NC(=O)C3=CC=C(C=C3)N4C(=N/C(=C/C5=CNC6=CC=CC=C65)/C4=O)C |
Product Overview
C36H31N7O4 (CAS 134248-54-7), with molecular formula C36H31N7O4 and molecular weight 625.24 g/mol. IUPAC: N-[(E)-C-(3,4-dimethoxyphenyl)-N-(2-methylanilino)carbonimidoyl]imino-4-[(4E)-4-(1H-indol-3-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]benzamide.
Chemical Property Profile of C36H31N7O4
Property Insights of C36H31N7O4
The XLogP value of 7.36592 indicates that C36H31N7O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C36H31N7O4. Following Lipinski's Rule of Five, C36H31N7O4 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C36H31N7O4?
The CAS number of C36H31N7O4 is 134248-54-7.
What is the molecular formula of C36H31N7O4?
The molecular formula of C36H31N7O4 is C36H31N7O4.
What is the molecular weight of C36H31N7O4?
The molecular weight of C36H31N7O4 is 625.24 g/mol.
Where can I buy C36H31N7O4?
You can request a quote for C36H31N7O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C36H31N7O4?
Yes, KEHONG BIO provides custom synthesis services for C36H31N7O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.