1-Adamantyl isocyanide
TL;DR: 1-Adamantyl isocyanide (CAS 22110-53-8) is a chemical compound with molecular formula C11H15N and molecular weight 161.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanoadamantane
Also Known As: 1-isocyanoadamantane, 1-Adamantyl isocyanide, 1-Adamantaneisocyanide, 1-adamantylisonitrile, 1-Adamantylisocyanide
| Molecular Formula | C11H15N |
|---|---|
| Molecular Weight | 161.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.12045 |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 22110-53-8 |
|---|---|
| SMILES | [C-]#[N+]C12CC3CC(C1)CC(C3)C2 |
| InChIKey | RPRJRJNIFAYHRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Adamantyl isocyanide (CAS 22110-53-8), with molecular formula C11H15N and molecular weight 161.12 g/mol. IUPAC: 1-isocyanoadamantane.
Chemical Property Profile of 1-Adamantyl isocyanide
Property Insights of 1-Adamantyl isocyanide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Adamantyl isocyanide. With a topological polar surface area (TPSA) of 4.4 Ų, 1-Adamantyl isocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Adamantyl isocyanide 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 1-Adamantyl isocyanide?
The CAS number of 1-Adamantyl isocyanide is 22110-53-8.
What is the molecular formula of 1-Adamantyl isocyanide?
The molecular formula of 1-Adamantyl isocyanide is C11H15N.
What is the molecular weight of 1-Adamantyl isocyanide?
The molecular weight of 1-Adamantyl isocyanide is 161.12 g/mol.
Where can I buy 1-Adamantyl isocyanide?
You can request a quote for 1-Adamantyl isocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Adamantyl isocyanide?
Yes, KEHONG BIO provides custom synthesis services for 1-Adamantyl isocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.