1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone
TL;DR: 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone (CAS 349114-29-0) is a chemical compound with molecular formula C14H9N3O3 and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl(benzotriazol-1-yl)methanone
Also Known As: 1,3-benzodioxol-5-yl(benzotriazol-1-yl)methanone, BAS 01129894, Benzo[1,3]dioxol-5-yl-benzotriazol-1-yl-methanone, 1,3-benzodioxol-5-yl(1-benzotriazolyl)methanone, 1,3-benzodioxol-5-yl(1H-benzotriazol-1-yl)methanone
| Molecular Formula | C14H9N3O3 |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.0644 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 349114-29-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)N3C4=CC=CC=C4N=N3 |
| InChIKey | GKBXJOCPZBRUIG-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone (CAS 349114-29-0), with molecular formula C14H9N3O3 and molecular weight 267.06 g/mol. IUPAC: 1,3-benzodioxol-5-yl(benzotriazol-1-yl)methanone.
Chemical Property Profile of 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone
Property Insights of 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)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 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone?
The CAS number of 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone is 349114-29-0.
What is the molecular formula of 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone?
The molecular formula of 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone is C14H9N3O3.
What is the molecular weight of 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone?
The molecular weight of 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone is 267.06 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone?
You can request a quote for 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.