2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one
TL;DR: 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one (CAS 92272-66-7) is a chemical compound with molecular formula C7H12BNO4 and molecular weight 185.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,9,10-trioxa-6-aza-1-borabicyclo[4.3.3]dodecan-3-one
Also Known As: 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one, J1.249.397E, 2,9,10-Trioxa-6-aza-1-borabicyclo[4.3.3]dodecan-3-one, 5,7,12-trioxa-1-aza-6-borabicyclo[4.3.3]dodecan-4-one, 2,9,10-Trioxa-6-aza-1-borabicyclo[4.3.3]dodecane-3-one
| Molecular Formula | C7H12BNO4 |
|---|---|
| Molecular Weight | 185.09 g/mol |
| LogP | -0.733 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.08594 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 92272-66-7 |
|---|---|
| SMILES | B12OCCN(CCC(=O)O1)CCO2 |
| InChIKey | SRKQKDCJHPZMJA-UHFFFAOYSA-N |
Product Overview
2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one (CAS 92272-66-7), with molecular formula C7H12BNO4 and molecular weight 185.09 g/mol. IUPAC: 2,9,10-trioxa-6-aza-1-borabicyclo[4.3.3]dodecan-3-one.
Chemical Property Profile of 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one
Property Insights of 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one
The XLogP value of -0.733 indicates that 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-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, 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-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 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one?
The CAS number of 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one is 92272-66-7.
What is the molecular formula of 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one?
The molecular formula of 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one is C7H12BNO4.
What is the molecular weight of 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one?
The molecular weight of 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one is 185.09 g/mol.
Where can I buy 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one?
You can request a quote for 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,9,10-Trioxa-6-aza-1-borabicyclo(4.3.3)dodecan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.