![9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]- structure](/static/products/1130/113055-83-7.webp)
9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]-
TL;DR: 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]- (CAS 113055-83-7) is a chemical compound with molecular formula C11H21BS and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-propan-2-ylsulfanyl-9-borabicyclo[3.3.1]nonane
Also Known As: 9-propan-2-ylsulfanyl-9-borabicyclo[3.3.1]nonane, 9-(isopropylthio)-9-borabicyclo{3.3.1}nonane, 9-(Isopropylsulfanyl)-9-borabicyclo[3.3.1]nonane, 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]-, 9-(Isopropylsulfanyl)-9-borabicyclo[3.3.1]nonane #
| Molecular Formula | C11H21BS |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 4.2277 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.1457 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 113055-83-7 |
|---|---|
| SMILES | B1(C2CCCC1CCC2)SC(C)C |
| InChIKey | FHIKLALVKYPBDK-UHFFFAOYSA-N |
Product Overview
9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]- (CAS 113055-83-7), with molecular formula C11H21BS and molecular weight 196.15 g/mol. IUPAC: 9-propan-2-ylsulfanyl-9-borabicyclo[3.3.1]nonane.
Chemical Property Profile of 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]-
Property Insights of 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]-
The XLogP value of 4.2277 indicates that 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]- has 0 hydrogen bond donor(s) and 1 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-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]-?
The CAS number of 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]- is 113055-83-7.
What is the molecular formula of 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]-?
The molecular formula of 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]- is C11H21BS.
What is the molecular weight of 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]-?
The molecular weight of 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]- is 196.15 g/mol.
Where can I buy 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]-?
You can request a quote for 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for 9-Borabicyclo[3.3.1]nonane, 9-[(1-methylethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.