![9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane structure](/static/products/5331/53317-06-9.webp)
9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane
TL;DR: 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane (CAS 53317-06-9) is a chemical compound with molecular formula C12H23B and molecular weight 178.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-butan-2-yl-9-borabicyclo[3.3.1]nonane
Also Known As: 9-butan-2-yl-9-borabicyclo[3.3.1]nonane, 9-Sec-butyl-9-borabicyclo[3.3.1]nonane, 9-Borabicyclo[3.3.1]nonane, 9-(1-methylpropyl)-, 9-(butan-2-yl)-9-borabicyclo[3.3.1]nonane, 9-Sec-butyl-9-borabicyclo[3.3.1]nonane #
| Molecular Formula | C12H23B |
|---|---|
| Molecular Weight | 178.19 g/mol |
| LogP | 4.3895 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.18929 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 53317-06-9 |
|---|---|
| SMILES | B1(C2CCCC1CCC2)C(C)CC |
| InChIKey | IOYSACVTXWMRKD-UHFFFAOYSA-N |
Product Overview
9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane (CAS 53317-06-9), with molecular formula C12H23B and molecular weight 178.19 g/mol. IUPAC: 9-butan-2-yl-9-borabicyclo[3.3.1]nonane.
Chemical Property Profile of 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane
Property Insights of 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane
The XLogP value of 4.3895 indicates that 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane has 0 hydrogen bond donor(s) and 0 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 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane?
The CAS number of 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane is 53317-06-9.
What is the molecular formula of 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane?
The molecular formula of 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane is C12H23B.
What is the molecular weight of 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane?
The molecular weight of 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane is 178.19 g/mol.
Where can I buy 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane?
You can request a quote for 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane?
Yes, KEHONG BIO provides custom synthesis services for 9-(1-Methylpropyl)-9-borabicyclo[3.3.1]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.