1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone
TL;DR: 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone (CAS 333347-98-1) is a chemical compound with molecular formula C15H13N3O3 and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone
Also Known As: BAS 00784237, benzotriazolyl 3,5-dimethoxyphenyl ketone, 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone, benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone, 1-(3,5-dimethoxybenzoyl)-1H-1,2,3-benzotriazole
| Molecular Formula | C15H13N3O3 |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0957 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 333347-98-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)N2C3=CC=CC=C3N=N2)OC |
| InChIKey | FLQDVGKWMLKXAW-UHFFFAOYSA-N |
Product Overview
1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone (CAS 333347-98-1), with molecular formula C15H13N3O3 and molecular weight 283.10 g/mol. IUPAC: benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone.
Chemical Property Profile of 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone
Property Insights of 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone. Following Lipinski's Rule of Five, 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone has 0 hydrogen bond donor(s) and 5 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 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone?
The CAS number of 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone is 333347-98-1.
What is the molecular formula of 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone?
The molecular formula of 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone is C15H13N3O3.
What is the molecular weight of 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone?
The molecular weight of 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone is 283.10 g/mol.
Where can I buy 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone?
You can request a quote for 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.