3-Chloroadamantane-1-carbonitrile
TL;DR: 3-Chloroadamantane-1-carbonitrile (CAS 90812-27-4) is a chemical compound with molecular formula C11H14ClN and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloroadamantane-1-carbonitrile
Also Known As: 3-chloroadamantane-1-carbonitrile, 3-chloro-1-adamantanecarbonitrile, 3-Chlorotricyclo[3.3.1.13,7]decane-1-carbonitrile, AH-034/11963263, 3-Chlorotricyclo(3.3.1.13,7)decane-1-carbonitrile
| Molecular Formula | C11H14ClN |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 3.08778 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.08148 |
| Heavy Atoms | 13 |
| Complexity | 276.95563 |
Chemical Identifiers
| CAS Number | 90812-27-4 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)Cl)C#N |
Product Overview
3-Chloroadamantane-1-carbonitrile (CAS 90812-27-4), with molecular formula C11H14ClN and molecular weight 195.08 g/mol. IUPAC: 3-chloroadamantane-1-carbonitrile.
Chemical Property Profile of 3-Chloroadamantane-1-carbonitrile
Property Insights of 3-Chloroadamantane-1-carbonitrile
The XLogP value of 3.08778 indicates that 3-Chloroadamantane-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-Chloroadamantane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloroadamantane-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-Chloroadamantane-1-carbonitrile?
The CAS number of 3-Chloroadamantane-1-carbonitrile is 90812-27-4.
What is the molecular formula of 3-Chloroadamantane-1-carbonitrile?
The molecular formula of 3-Chloroadamantane-1-carbonitrile is C11H14ClN.
What is the molecular weight of 3-Chloroadamantane-1-carbonitrile?
The molecular weight of 3-Chloroadamantane-1-carbonitrile is 195.08 g/mol.
Where can I buy 3-Chloroadamantane-1-carbonitrile?
You can request a quote for 3-Chloroadamantane-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-Chloroadamantane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloroadamantane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.