Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans-
TL;DR: Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans- (CAS 94597-37-2) 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,4R)-3,4-dihydroxy-4-methylcyclohexa-1,5-dien-1-yl]acetamide
Also Known As: Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans-, N-[(3S,4R)-3,4-dihydroxy-4-methylcyclohexa-1,5-dien-1-yl]acetamide, N-[(3S,4S)-3,4-dihydroxy-4-methyl-1-cyclohexa-1,5-dienyl]acetamide
| 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 | 94597-37-2 |
|---|---|
| SMILES | CC(=O)NC1=C[C@@H]([C@](C=C1)(C)O)O |
| InChIKey | AEQJIBDDHRZWRI-DTWKUNHWSA-N |
Product Overview
Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans- (CAS 94597-37-2), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: N-[(3S,4R)-3,4-dihydroxy-4-methylcyclohexa-1,5-dien-1-yl]acetamide.
Chemical Property Profile of Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans-
Property Insights of Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans-
The XLogP value of -1.0 indicates that Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans- 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 Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans-. Following Lipinski's Rule of Five, Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans- 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 Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans-?
The CAS number of Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans- is 94597-37-2.
What is the molecular formula of Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans-?
The molecular formula of Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans- is C9H13NO3.
What is the molecular weight of Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans-?
The molecular weight of Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans- is 183.09 g/mol.
Where can I buy Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans-?
You can request a quote for Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-(3,4-dihydroxy-4-methyl-1,5-cyclohexadien-1-yl)-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.