4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one
TL;DR: 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one (CAS 121-23-3) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-one
Also Known As: 2'-Amino-5'-methylindoaniline, 2/'-Amino-5/'-methylindoaniline, 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one, 4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-one, N-(4,6-Diamino-m-tolyl)quinonimine
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 121-23-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N)N)N=C2C=CC(=O)C=C2 |
| InChIKey | HAXAVAPYQCRUSA-UHFFFAOYSA-N |
Product Overview
4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one (CAS 121-23-3), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: 4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one
Property Insights of 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one. Following Lipinski's Rule of Five, 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one has 2 hydrogen bond donor(s) and 4 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 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one?
The CAS number of 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one is 121-23-3.
What is the molecular formula of 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one?
The molecular formula of 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one is C13H13N3O.
What is the molecular weight of 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one?
The molecular weight of 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one is 227.11 g/mol.
Where can I buy 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one?
You can request a quote for 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.