(4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine
TL;DR: (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine (CAS 30749-78-1) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(4-hydroxyphenyl)-4-imino-5-methylcyclohexa-2,5-dien-1-one
Also Known As: 5-Ahimc, (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine, 5-Amino-(4-(4-hydroxyphenyl)imino)-2-methyl-2,5-cyclohexadien-1-one, 2-Amino-4'-hydroxy-6-imino-5-methyl[1,1'-biphenyl]-3(6H)-one, 2,5-Cyclohexadien-1-one, 5-amino-4-((4-hydroxyphenyl)imino)-2-methyl-
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 30749-78-1 |
|---|---|
| SMILES | CC1=CC(=O)C(=C(C1=N)C2=CC=C(C=C2)O)N |
| InChIKey | BYGHPYOMCIKWKP-UHFFFAOYSA-N |
Product Overview
(4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine (CAS 30749-78-1), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 2-amino-3-(4-hydroxyphenyl)-4-imino-5-methylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine
Property Insights of (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine. Following Lipinski's Rule of Five, (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine has 3 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'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine?
The CAS number of (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine is 30749-78-1.
What is the molecular formula of (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine?
The molecular formula of (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine is C13H12N2O2.
What is the molecular weight of (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine?
The molecular weight of (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine is 228.09 g/mol.
Where can I buy (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine?
You can request a quote for (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine?
Yes, KEHONG BIO provides custom synthesis services for (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.