(3.3.3)-Propellane, 2,8,9-tris(methylene)-
TL;DR: (3.3.3)-Propellane, 2,8,9-tris(methylene)- (CAS 58461-87-3) is a chemical compound with molecular formula C14H18 and molecular weight 186.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8,9-trimethylidenetricyclo[3.3.3.01,5]undecane
Also Known As: (3.3.3)-Propellane, 2,8,9-tris(methylene)-, [3.3.3]Propellane, 2,8,9-tris(methylene)-, 1,6,7-Trimethylidenetetrahydro-1H,4H-3a,6a-propanopentalene
| Molecular Formula | C14H18 |
|---|---|
| Molecular Weight | 186.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.14085 |
| Heavy Atoms | 14 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 58461-87-3 |
|---|---|
| SMILES | C=C1CCC23C1(C(=C)CC2)C(=C)CC3 |
| InChIKey | QZCISUCJHQWIHV-UHFFFAOYSA-N |
Product Overview
(3.3.3)-Propellane, 2,8,9-tris(methylene)- (CAS 58461-87-3), with molecular formula C14H18 and molecular weight 186.14 g/mol. IUPAC: 2,8,9-trimethylidenetricyclo[3.3.3.01,5]undecane.
Chemical Property Profile of (3.3.3)-Propellane, 2,8,9-tris(methylene)-
Property Insights of (3.3.3)-Propellane, 2,8,9-tris(methylene)-
The XLogP value of 3.5 indicates that (3.3.3)-Propellane, 2,8,9-tris(methylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (3.3.3)-Propellane, 2,8,9-tris(methylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3.3.3)-Propellane, 2,8,9-tris(methylene)- 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 (3.3.3)-Propellane, 2,8,9-tris(methylene)-?
The CAS number of (3.3.3)-Propellane, 2,8,9-tris(methylene)- is 58461-87-3.
What is the molecular formula of (3.3.3)-Propellane, 2,8,9-tris(methylene)-?
The molecular formula of (3.3.3)-Propellane, 2,8,9-tris(methylene)- is C14H18.
What is the molecular weight of (3.3.3)-Propellane, 2,8,9-tris(methylene)-?
The molecular weight of (3.3.3)-Propellane, 2,8,9-tris(methylene)- is 186.14 g/mol.
Where can I buy (3.3.3)-Propellane, 2,8,9-tris(methylene)-?
You can request a quote for (3.3.3)-Propellane, 2,8,9-tris(methylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3.3.3)-Propellane, 2,8,9-tris(methylene)-?
Yes, KEHONG BIO provides custom synthesis services for (3.3.3)-Propellane, 2,8,9-tris(methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.