1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-
TL;DR: 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)- (CAS 130604-31-8) is a chemical compound with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethoxyphenyl)-1,2,5,7-tetrahydro-1,4,7-benzotriazonine-3,6-dione
Also Known As: ASN 02869263, 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-, 3,4,6,7-Tetrahydro-4-(4-ethoxyphenyl)-1H-1,4,7-benzotriazonine-2,5-dione, 4-(4-ethoxyphenyl)-1,2,5,7-tetrahydro-1,4,7-benzotriazonine-3,6-dione, 4-(4-Ethoxyphenyl)-3,4,6,7-tetrahydro-1H-1,4,7-benzotriazonine-2,5-dione
| Molecular Formula | C18H19N3O3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.14264 |
| Heavy Atoms | 24 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 130604-31-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2CC(=O)NC3=CC=CC=C3NCC2=O |
| InChIKey | OAUAHIZTNCWECU-UHFFFAOYSA-N |
Product Overview
1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)- (CAS 130604-31-8), with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol. IUPAC: 4-(4-ethoxyphenyl)-1,2,5,7-tetrahydro-1,4,7-benzotriazonine-3,6-dione.
Chemical Property Profile of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-
Property Insights of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-. Following Lipinski's Rule of Five, 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)- has 2 hydrogen bond donor(s) and 4 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-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-?
The CAS number of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)- is 130604-31-8.
What is the molecular formula of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-?
The molecular formula of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)- is C18H19N3O3.
What is the molecular weight of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-?
The molecular weight of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)- is 325.14 g/mol.
Where can I buy 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-?
You can request a quote for 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.