1-sec-Butyladamantane
TL;DR: 1-sec-Butyladamantane (CAS 14449-42-4) is a chemical compound with molecular formula C14H24 and molecular weight 192.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yladamantane
Also Known As: 1-sec-Butyladamantane, 1-butan-2-yladamantane, RefChem:235290
| Molecular Formula | C14H24 |
|---|---|
| Molecular Weight | 192.19 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.1878 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 14449-42-4 |
|---|---|
| SMILES | CCC(C)C12CC3CC(C1)CC(C3)C2 |
| InChIKey | JEURJPFZYYKZIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-sec-Butyladamantane (CAS 14449-42-4), with molecular formula C14H24 and molecular weight 192.19 g/mol. IUPAC: 1-butan-2-yladamantane.
Chemical Property Profile of 1-sec-Butyladamantane
Property Insights of 1-sec-Butyladamantane
The XLogP value of 5.6 indicates that 1-sec-Butyladamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-sec-Butyladamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-sec-Butyladamantane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-sec-Butyladamantane?
The CAS number of 1-sec-Butyladamantane is 14449-42-4.
What is the molecular formula of 1-sec-Butyladamantane?
The molecular formula of 1-sec-Butyladamantane is C14H24.
What is the molecular weight of 1-sec-Butyladamantane?
The molecular weight of 1-sec-Butyladamantane is 192.19 g/mol.
Where can I buy 1-sec-Butyladamantane?
You can request a quote for 1-sec-Butyladamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-sec-Butyladamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-sec-Butyladamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.