N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid
TL;DR: N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid (CAS 94597-39-4) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3S,4S)-3,4-dihydroxy-4-methylcyclohexa-1,5-dien-1-yl]acetamide
Also Known As: N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid, Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, cis-, N-[(3S,4S)-3,4-dihydroxy-4-methyl-1-cyclohexa-1,5-dienyl]acetamide, N-[(3S,4S)-3,4-dihydroxy-4-methylcyclohexa-1,5-dien-1-yl]acetamide, N-[(3S,4S)-3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl]ethanimidic acid
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 94597-39-4 |
|---|---|
| SMILES | CC(=O)NC1=C[C@@H]([C@@](C=C1)(C)O)O |
| InChIKey | AEQJIBDDHRZWRI-IUCAKERBSA-N |
Product Overview
N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid (CAS 94597-39-4), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: N-[(3S,4S)-3,4-dihydroxy-4-methylcyclohexa-1,5-dien-1-yl]acetamide.
Chemical Property Profile of N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid
Property Insights of N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid
The XLogP value of -1.0 indicates that N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid. Following Lipinski's Rule of Five, N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid has 3 hydrogen bond donor(s) and 3 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 N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid?
The CAS number of N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid is 94597-39-4.
What is the molecular formula of N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid?
The molecular formula of N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid is C9H13NO3.
What is the molecular weight of N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid?
The molecular weight of N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid is 183.09 g/mol.
Where can I buy N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid?
You can request a quote for N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-Dihydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.