Benzotriazol-1-YL-acetic acid benzyl ester
TL;DR: Benzotriazol-1-YL-acetic acid benzyl ester (CAS 125453-11-4) is a chemical compound with molecular formula C15H13N3O2 and molecular weight 267.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 2-(benzotriazol-1-yl)acetate
Also Known As: benzyl 2-(benzotriazol-1-yl)acetate, benzyl 2-(1H-1,2,3-benzotriazol-1-yl)acetate, BENZOTRIAZOL-1-YL-ACETIC ACID BENZYL ESTER, Benzotriazol-1-ylmethyl-carbamic acid benzyl ester, A1-15686
Technical Specifications
| Molecular Formula | C15H13N3O2 |
| Molecular Weight | 267.10077 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.10077 Da |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)CN2C3=CC=CC=C3N=N2 |
| InChIKey | IDLOUDWACMTICS-UHFFFAOYSA-N |
Chemical Property Profile of Benzotriazol-1-YL-acetic acid benzyl ester
Property Insights of Benzotriazol-1-YL-acetic acid benzyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazol-1-YL-acetic acid benzyl ester. With a topological polar surface area (TPSA) of 57.0 Ų, Benzotriazol-1-YL-acetic acid benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzotriazol-1-YL-acetic acid benzyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzotriazol-1-YL-acetic acid benzyl ester?
The CAS number of Benzotriazol-1-YL-acetic acid benzyl ester is 125453-11-4.
What is the molecular formula of Benzotriazol-1-YL-acetic acid benzyl ester?
The molecular formula of Benzotriazol-1-YL-acetic acid benzyl ester is C15H13N3O2.
What is the molecular weight of Benzotriazol-1-YL-acetic acid benzyl ester?
The molecular weight of Benzotriazol-1-YL-acetic acid benzyl ester is 267.10077 g/mol.
Where can I buy Benzotriazol-1-YL-acetic acid benzyl ester?
You can request a quote for Benzotriazol-1-YL-acetic acid benzyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzotriazol-1-YL-acetic acid benzyl ester?
Yes, CoreyChem provides custom synthesis services for Benzotriazol-1-YL-acetic acid benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.