3-Methyladamantane-1-carbonitrile
TL;DR: 3-Methyladamantane-1-carbonitrile (CAS 78080-25-8) is a chemical compound with molecular formula C12H17N and molecular weight 175.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyladamantane-1-carbonitrile
Also Known As: 3-methyladamantane-1-carbonitrile, 3-methyl-1-adamantanecarbonitrile
| Molecular Formula | C12H17N |
|---|---|
| Molecular Weight | 175.14 g/mol |
| LogP | 3.11648 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.1361 |
| Heavy Atoms | 13 |
| Complexity | 271.98984 |
Chemical Identifiers
| CAS Number | 78080-25-8 |
|---|---|
| SMILES | CC12CC3CC(C1)CC(C3)(C2)C#N |
Product Overview
3-Methyladamantane-1-carbonitrile (CAS 78080-25-8), with molecular formula C12H17N and molecular weight 175.14 g/mol. IUPAC: 3-methyladamantane-1-carbonitrile.
Chemical Property Profile of 3-Methyladamantane-1-carbonitrile
Property Insights of 3-Methyladamantane-1-carbonitrile
The XLogP value of 3.11648 indicates that 3-Methyladamantane-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 3-Methyladamantane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyladamantane-1-carbonitrile 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 3-Methyladamantane-1-carbonitrile?
The CAS number of 3-Methyladamantane-1-carbonitrile is 78080-25-8.
What is the molecular formula of 3-Methyladamantane-1-carbonitrile?
The molecular formula of 3-Methyladamantane-1-carbonitrile is C12H17N.
What is the molecular weight of 3-Methyladamantane-1-carbonitrile?
The molecular weight of 3-Methyladamantane-1-carbonitrile is 175.14 g/mol.
Where can I buy 3-Methyladamantane-1-carbonitrile?
You can request a quote for 3-Methyladamantane-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyladamantane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyladamantane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.