双环(3.3.1)壬烷-9-酮
TL;DR: 双环(3.3.1)壬烷-9-酮 (CAS 17931-55-4) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双环(3.3.1)壬烷-9-酮
bicyclo[3.3.1]nonan-9-one
Also Known As: Bicyclo[3.3.1]nonan-9-one, Bicyclo(3.3.1)nonan-9-one, Bicyclo[3.3.1]nona-9-one, Bicyclo(3.3.1)nonan-3-one, Bicyclo(3.3.1)nona-9-one
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 17931-55-4 |
|---|---|
| SMILES | C1CC2CCCC(C1)C2=O |
| InChIKey | SKTMMSQPXGWCAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双环(3.3.1)壬烷-9-酮 (CAS 17931-55-4), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: bicyclo[3.3.1]nonan-9-one.
Chemical Property Profile of 双环(3.3.1)壬烷-9-酮
Property Insights of 双环(3.3.1)壬烷-9-酮
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双环(3.3.1)壬烷-9-酮. With a topological polar surface area (TPSA) of 17.1 Ų, 双环(3.3.1)壬烷-9-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双环(3.3.1)壬烷-9-酮 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 双环(3.3.1)壬烷-9-酮?
The CAS number of 双环(3.3.1)壬烷-9-酮 is 17931-55-4.
What is the molecular formula of 双环(3.3.1)壬烷-9-酮?
The molecular formula of 双环(3.3.1)壬烷-9-酮 is C9H14O.
What is the molecular weight of 双环(3.3.1)壬烷-9-酮?
The molecular weight of 双环(3.3.1)壬烷-9-酮 is 138.10 g/mol.
Where can I buy 双环(3.3.1)壬烷-9-酮?
You can request a quote for 双环(3.3.1)壬烷-9-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双环(3.3.1)壬烷-9-酮?
Yes, KEHONG BIO provides custom synthesis services for 双环(3.3.1)壬烷-9-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.