(2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one
TL;DR: (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one (CAS 1362016-72-5) is a chemical compound with molecular formula C16H11N3O3 and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-1-(benzotriazol-1-yl)prop-2-en-1-one
Also Known As: L-Erythro-3-hydroxyglutamic acid, L-Glutamic acid,3-hydroxy-, (3S)-, Erythro-beta-hydroxy-L-glutamic acid, beta-Hydroxy-L-glutamic acid, erythro-, CDS1_003681
| Molecular Formula | C16H11N3O3 |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 2.5136 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.08005 |
| Heavy Atoms | 22 |
| Complexity | 898.54236 |
Chemical Identifiers
| CAS Number | 1362016-72-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)N3C4=CC=CC=C4N=N3 |
Product Overview
(2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one (CAS 1362016-72-5), with molecular formula C16H11N3O3 and molecular weight 293.08 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-1-(benzotriazol-1-yl)prop-2-en-1-one.
Chemical Property Profile of (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one
Property Insights of (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one
The XLogP value of 2.5136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one 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 (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one?
The CAS number of (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one is 1362016-72-5.
What is the molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one?
The molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one is C16H11N3O3.
What is the molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one?
The molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one is 293.08 g/mol.
Where can I buy (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one?
You can request a quote for (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.