3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione
TL;DR: 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione (CAS 79379-06-9) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-oxa-3,9-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
Also Known As: 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione, 6-oxa-3,9-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione, 6-oxa-3,9-diazabicyclo[9.4.0]pentadeca-11,13,15-triene-2,10-dione, RefChem:270647
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 0.1764 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 392.51385 |
Chemical Identifiers
| CAS Number | 79379-06-9 |
|---|---|
| SMILES | C1COCCNC(=O)C2=CC=CC=C2C(=O)N1 |
Product Overview
3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione (CAS 79379-06-9), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: 6-oxa-3,9-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione.
Chemical Property Profile of 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione
Property Insights of 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione
The XLogP value of 0.1764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione. Following Lipinski's Rule of Five, 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione has 2 hydrogen bond donor(s) and 3 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 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione?
The CAS number of 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione is 79379-06-9.
What is the molecular formula of 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione?
The molecular formula of 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione is C12H14N2O3.
What is the molecular weight of 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione?
The molecular weight of 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione is 234.10 g/mol.
Where can I buy 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione?
You can request a quote for 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,4,7,8-Tetrahydro-5,2,8-benzoxadiazacycloundecine-1,9(2H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.