Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate
TL;DR: Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate (CAS 301164-65-8) is a chemical compound with molecular formula C16H14N6O3 and molecular weight 338.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-bis(benzotriazol-1-yl)-2-methoxyacetate
Also Known As: Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate, methyl 2,2-bis(benzotriazol-1-yl)-2-methoxyacetate, Methyl 2,2-dibenzotriazol-1-yl-2-methoxy-acetate, methyl 2,2-bis(benzotriazol-1-yl)-2-methoxy-acetate
| Molecular Formula | C16H14N6O3 |
|---|---|
| Molecular Weight | 338.11 g/mol |
| LogP | 1.154 |
| Topological Polar Surface Area | 96.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.11273 |
| Heavy Atoms | 25 |
| Complexity | 995.81165 |
Chemical Identifiers
| CAS Number | 301164-65-8 |
|---|---|
| SMILES | COC(=O)C(N1C2=CC=CC=C2N=N1)(N3C4=CC=CC=C4N=N3)OC |
Product Overview
Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate (CAS 301164-65-8), with molecular formula C16H14N6O3 and molecular weight 338.11 g/mol. IUPAC: methyl 2,2-bis(benzotriazol-1-yl)-2-methoxyacetate.
Chemical Property Profile of Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate
Property Insights of Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate
The XLogP value of 1.154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate. The TPSA of 96.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate. Following Lipinski's Rule of Five, Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate has 0 hydrogen bond donor(s) and 7 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 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate?
The CAS number of Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate is 301164-65-8.
What is the molecular formula of Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate?
The molecular formula of Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate is C16H14N6O3.
What is the molecular weight of Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate?
The molecular weight of Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate is 338.11 g/mol.
Where can I buy Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate?
You can request a quote for Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2-bis(1H-1,2,3-benzotriazol-1-yl)-2-methoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.