2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one
TL;DR: 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one (CAS 81382-22-1) is a chemical compound with molecular formula C6H10BNO4 and molecular weight 171.07 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]undecan-3-one
Also Known As: 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one, J1.249.399A, 2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecan-3-one, 2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane-3-one, 4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecan-3-one
| Molecular Formula | C6H10BNO4 |
|---|---|
| Molecular Weight | 171.07 g/mol |
| LogP | -1.1231 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.07028 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 81382-22-1 |
|---|---|
| SMILES | B12OCCN(CCO1)CC(=O)O2 |
| InChIKey | JRURTXAFOWXUQS-UHFFFAOYSA-N |
Product Overview
2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one (CAS 81382-22-1), with molecular formula C6H10BNO4 and molecular weight 171.07 g/mol. IUPAC: 2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecan-3-one.
Chemical Property Profile of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one
Property Insights of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one
The XLogP value of -1.1231 indicates that 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 48.0 Ų, 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-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 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one?
The CAS number of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one is 81382-22-1.
What is the molecular formula of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one?
The molecular formula of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one is C6H10BNO4.
What is the molecular weight of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one?
The molecular weight of 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one is 171.07 g/mol.
Where can I buy 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one?
You can request a quote for 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one 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-one?
Yes, KEHONG BIO provides custom synthesis services for 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.