Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate
TL;DR: Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate (CAS 73318-13-5) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate
Also Known As: methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate, methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethyl-cyclohexa-1,3-diene-1-carboxylate
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 73318-13-5 |
|---|---|
| SMILES | CC1=C(C(=C(CC1(C)O)C(=O)OC)N)C#N |
| InChIKey | RWSMPODRPHNCRK-UHFFFAOYSA-N |
Product Overview
Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate (CAS 73318-13-5), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate.
Chemical Property Profile of Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate
Property Insights of Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate
The XLogP value of -0.2 indicates that Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate. Following Lipinski's Rule of Five, Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate has 2 hydrogen bond donor(s) and 5 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 Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate?
The CAS number of Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate is 73318-13-5.
What is the molecular formula of Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate?
The molecular formula of Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate is C11H14N2O3.
What is the molecular weight of Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate?
The molecular weight of Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate is 222.10 g/mol.
Where can I buy Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate?
You can request a quote for Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.