ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate
TL;DR: ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate (CAS 866009-67-8) is a chemical compound with molecular formula C16H21N3O4 and molecular weight 319.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate
Also Known As: ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate, ethyl 2-[4-(tert-butyl)-2,5-dioxo-1,2,4,5-tetrahydro-3H-1,3,4-benzotriazepin-3-yl]acetate, ethyl 2-(4-tert-butyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,3,4-benzotriazepin-3-yl)acetate, ethyl2-(4-tert-butyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,3,4-benzotriazepin-3-yl)acetate
| Molecular Formula | C16H21N3O4 |
|---|---|
| Molecular Weight | 319.15 g/mol |
| LogP | 2.2529 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.1532 |
| Heavy Atoms | 23 |
| Complexity | 636.4577 |
Chemical Identifiers
| CAS Number | 866009-67-8 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)NC2=CC=CC=C2C(=O)N1C(C)(C)C |
Product Overview
ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate (CAS 866009-67-8), with molecular formula C16H21N3O4 and molecular weight 319.15 g/mol. IUPAC: ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate.
Chemical Property Profile of ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate
Property Insights of ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate
The XLogP value of 2.2529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate has 1 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 ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate?
The CAS number of ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate is 866009-67-8.
What is the molecular formula of ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate?
The molecular formula of ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate is C16H21N3O4.
What is the molecular weight of ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate?
The molecular weight of ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate is 319.15 g/mol.
Where can I buy ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate?
You can request a quote for ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.