2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione
TL;DR: 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione (CAS 81382-23-2) is a chemical compound with molecular formula C6H8BNO5 and molecular weight 185.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane-3,7-dione
Also Known As: 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione, J1.249.398C, 2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane-3,7-dione, 4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane-3,7-dione
| Molecular Formula | C6H8BNO5 |
|---|---|
| Molecular Weight | 185.05 g/mol |
| LogP | -1.5965 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.04955 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 81382-23-2 |
|---|---|
| SMILES | B12OCCN(CC(=O)O1)CC(=O)O2 |
| InChIKey | OOIMESPPTXXGNQ-UHFFFAOYSA-N |
Product Overview
2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione (CAS 81382-23-2), with molecular formula C6H8BNO5 and molecular weight 185.05 g/mol. IUPAC: 2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane-3,7-dione.
Chemical Property Profile of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione
Property Insights of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione
The XLogP value of -1.5965 indicates that 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione. Following Lipinski's Rule of Five, 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione has 0 hydrogen bond donor(s) and 6 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 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione?
The CAS number of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione is 81382-23-2.
What is the molecular formula of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione?
The molecular formula of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione is C6H8BNO5.
What is the molecular weight of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione?
The molecular weight of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione is 185.05 g/mol.
Where can I buy 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione?
You can request a quote for 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.