(2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid
TL;DR: (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid (CAS 856863-09-7) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1-benzyltriazol-4-yl)prop-2-enoic acid
Also Known As: (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid, (E)-3-(1-benzyltriazol-4-yl)prop-2-enoic Acid, (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)prop-2-enoic acid, 3-(1-benzyl-1H-1,2,3-triazol-4-yl)prop-2-enoic acid, (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)prop-2-enoicacid
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 1.4242 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 531.6936 |
Chemical Identifiers
| CAS Number | 856863-09-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(N=N2)/C=C/C(=O)O |
Product Overview
(2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid (CAS 856863-09-7), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: (E)-3-(1-benzyltriazol-4-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid
Property Insights of (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid
The XLogP value of 1.4242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid. Following Lipinski's Rule of Five, (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid has 1 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 (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid?
The CAS number of (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid is 856863-09-7.
What is the molecular formula of (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid?
The molecular formula of (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid is C12H11N3O2.
What is the molecular weight of (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid?
The molecular weight of (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid is 229.09 g/mol.
Where can I buy (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid?
You can request a quote for (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.