Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate
TL;DR: Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate (CAS 69467-93-2) is a chemical compound with molecular formula C10H13N3O3 and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[hydroxymethyl(methyl)amino]diazenyl]benzoate
Also Known As: NIOSH/DH2521700, Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate, NCI60_003665, methyl 4-[[hydroxymethyl(methyl)amino]diazenyl]benzoate, 3-Hydroxymethyl-3-methyl-1-(p-methoxycarbonylphenyl)triazene
| Molecular Formula | C10H13N3O3 |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.09569 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 69467-93-2 |
|---|---|
| SMILES | CN(CO)N=NC1=CC=C(C=C1)C(=O)OC |
| InChIKey | BLAFWWCVPZFQTO-UHFFFAOYSA-N |
Product Overview
Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate (CAS 69467-93-2), with molecular formula C10H13N3O3 and molecular weight 223.10 g/mol. IUPAC: methyl 4-[[hydroxymethyl(methyl)amino]diazenyl]benzoate.
Chemical Property Profile of Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate
Property Insights of Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate has 1 hydrogen bond donor(s) and 6 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 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate?
The CAS number of Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate is 69467-93-2.
What is the molecular formula of Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate?
The molecular formula of Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate is C10H13N3O3.
What is the molecular weight of Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate?
The molecular weight of Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate is 223.10 g/mol.
Where can I buy Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate?
You can request a quote for Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-(hydroxymethyl)-3-methyl-1-triazenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.