立方烷
TL;DR: 立方烷 (CAS 277-10-1) is a chemical compound with molecular formula C12C3C4C1C5C2C3C45 and molecular weight 104.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
立方烷
cubane
Also Known As: Cubane, Cuban, QUADRIPRISMANE, (4)PRISMANE, CUBANE [MI]
| Molecular Formula | C12C3C4C1C5C2C3C45 |
|---|---|
| Molecular Weight | 104.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.0626 |
| Heavy Atoms | 8 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 277-10-1 |
|---|---|
| SMILES | C12C3C4C1C5C2C3C45 |
| InChIKey | TXWRERCHRDBNLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
立方烷 (CAS 277-10-1), with molecular formula C12C3C4C1C5C2C3C45 and molecular weight 104.06 g/mol. IUPAC: cubane.
Chemical Property Profile of 立方烷
Property Insights of 立方烷
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 立方烷. With a topological polar surface area (TPSA) of 0.0 Ų, 立方烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 立方烷 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 立方烷?
The CAS number of 立方烷 is 277-10-1.
What is the molecular formula of 立方烷?
The molecular formula of 立方烷 is C12C3C4C1C5C2C3C45.
What is the molecular weight of 立方烷?
The molecular weight of 立方烷 is 104.06 g/mol.
Where can I buy 立方烷?
You can request a quote for 立方烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 立方烷?
Yes, KEHONG BIO provides custom synthesis services for 立方烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.