Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone
TL;DR: Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone (CAS 57710-78-8) is a chemical compound with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone
Also Known As: starbld0011012, 1-(3,4,5-Trimethoxybenzoyl)-1H-1,2,3-benzotriazole, BAS 01130535, benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone, benzotriazolyl 3,4,5-trimethoxyphenyl ketone
| Molecular Formula | C16H15N3O4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.10626 |
| Heavy Atoms | 23 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 57710-78-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=CC=CC=C3N=N2 |
| InChIKey | NEKHFHOJHQTZQN-UHFFFAOYSA-N |
Product Overview
Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone (CAS 57710-78-8), with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol. IUPAC: benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone
Property Insights of Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone. Following Lipinski's Rule of Five, Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone has 0 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 Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone?
The CAS number of Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone is 57710-78-8.
What is the molecular formula of Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone?
The molecular formula of Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone is C16H15N3O4.
What is the molecular weight of Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone?
The molecular weight of Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone is 313.11 g/mol.
Where can I buy Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone?
You can request a quote for Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.