1,3-di-n-Propyladamantane
TL;DR: 1,3-di-n-Propyladamantane (CAS 40002-47-9) is a chemical compound with molecular formula C16H28 and molecular weight 220.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dipropyladamantane
Also Known As: 1,3-Dipropyladamantane, 1,3-di-n-Propyladamantane, 1,3-Dipropyladamantane #, 1,3-Dipropyltricyclo[3.3.1.13,7]decane, J1.504.894H
| Molecular Formula | C16H28 |
|---|---|
| Molecular Weight | 220.22 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.2191 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 40002-47-9 |
|---|---|
| SMILES | CCCC12CC3CC(C1)CC(C3)(C2)CCC |
| InChIKey | UHXVWOVRLUXCFE-UHFFFAOYSA-N |
Product Overview
1,3-di-n-Propyladamantane (CAS 40002-47-9), with molecular formula C16H28 and molecular weight 220.22 g/mol. IUPAC: 1,3-dipropyladamantane.
Chemical Property Profile of 1,3-di-n-Propyladamantane
Property Insights of 1,3-di-n-Propyladamantane
The XLogP value of 6.8 indicates that 1,3-di-n-Propyladamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-di-n-Propyladamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-di-n-Propyladamantane 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 1,3-di-n-Propyladamantane?
The CAS number of 1,3-di-n-Propyladamantane is 40002-47-9.
What is the molecular formula of 1,3-di-n-Propyladamantane?
The molecular formula of 1,3-di-n-Propyladamantane is C16H28.
What is the molecular weight of 1,3-di-n-Propyladamantane?
The molecular weight of 1,3-di-n-Propyladamantane is 220.22 g/mol.
Where can I buy 1,3-di-n-Propyladamantane?
You can request a quote for 1,3-di-n-Propyladamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-di-n-Propyladamantane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-di-n-Propyladamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.