![methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate structure](/static/products/4780/478064-95-8.webp)
methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate
TL;DR: methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate (CAS 478064-95-8) is a chemical compound with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4,5-bis(hydroxymethyl)triazol-1-yl]benzoate
Also Known As: methyl 2-[4,5-bis(hydroxymethyl)triazol-1-yl]benzoate, 6R-0826, methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate, methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzoate, methyl2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzoate
| Molecular Formula | C12H13N3O4 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 0.0385 |
| Topological Polar Surface Area | 97.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.0906 |
| Heavy Atoms | 19 |
| Complexity | 594.41046 |
Chemical Identifiers
| CAS Number | 478064-95-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N2C(=C(N=N2)CO)CO |
Product Overview
methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate (CAS 478064-95-8), with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol. IUPAC: methyl 2-[4,5-bis(hydroxymethyl)triazol-1-yl]benzoate.
Chemical Property Profile of methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate
Property Insights of methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate
The XLogP value of 0.0385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate. The TPSA of 97.47 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate. Following Lipinski's Rule of Five, methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate has 2 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 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate?
The CAS number of methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate is 478064-95-8.
What is the molecular formula of methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate?
The molecular formula of methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate is C12H13N3O4.
What is the molecular weight of methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate?
The molecular weight of methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate is 263.09 g/mol.
Where can I buy methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate?
You can request a quote for methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.