2-(2-Adamantylidene)acetonitrile
TL;DR: 2-(2-Adamantylidene)acetonitrile (CAS 38121-89-0) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-adamantylidene)acetonitrile
Also Known As: adamantylideneacetonitrile, 2-(2-adamantylidene)acetonitrile, 2-adamantylideneacetonitrile, adamantan-2-ylideneacetonitrile, 2-(adamantan-2-ylidene)acetonitrile
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.89248 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 264.73657 |
Chemical Identifiers
| CAS Number | 38121-89-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3=CC#N |
Product Overview
2-(2-Adamantylidene)acetonitrile (CAS 38121-89-0), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 2-(2-adamantylidene)acetonitrile.
Chemical Property Profile of 2-(2-Adamantylidene)acetonitrile
Property Insights of 2-(2-Adamantylidene)acetonitrile
The XLogP value of 2.89248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Adamantylidene)acetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-(2-Adamantylidene)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Adamantylidene)acetonitrile 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 2-(2-Adamantylidene)acetonitrile?
The CAS number of 2-(2-Adamantylidene)acetonitrile is 38121-89-0.
What is the molecular formula of 2-(2-Adamantylidene)acetonitrile?
The molecular formula of 2-(2-Adamantylidene)acetonitrile is C12H15N.
What is the molecular weight of 2-(2-Adamantylidene)acetonitrile?
The molecular weight of 2-(2-Adamantylidene)acetonitrile is 173.12 g/mol.
Where can I buy 2-(2-Adamantylidene)acetonitrile?
You can request a quote for 2-(2-Adamantylidene)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Adamantylidene)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Adamantylidene)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.