C16H28ClNO2
TL;DR: C16H28ClNO2 (CAS 471289-46-0) is a chemical compound with molecular formula C16H28ClNO2 and molecular weight 301.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl tricyclo[4.3.1.13,8]undecane-3-carboxylate;hydrochloride
Also Known As: BIM-0025885.P001, (1R,3r,6r,8S)-2-(dimethylamino)ethyl tricyclo[4.3.1.1(3,8)]undecane-3-carboxylate hydrochloride
| Molecular Formula | C16H28ClNO2 |
|---|---|
| Molecular Weight | 301.18 g/mol |
| LogP | 3.1195 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.18085 |
| Heavy Atoms | 20 |
| Complexity | 344.38605 |
Chemical Identifiers
| CAS Number | 471289-46-0 |
|---|---|
| SMILES | CN(C)CCOC(=O)C12CCC3CC(C1)CC(C3)C2.Cl |
Product Overview
C16H28ClNO2 (CAS 471289-46-0), with molecular formula C16H28ClNO2 and molecular weight 301.18 g/mol. IUPAC: 2-(dimethylamino)ethyl tricyclo[4.3.1.13,8]undecane-3-carboxylate;hydrochloride.
Chemical Property Profile of C16H28ClNO2
Property Insights of C16H28ClNO2
The XLogP value of 3.1195 indicates that C16H28ClNO2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, C16H28ClNO2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H28ClNO2 has 0 hydrogen bond donor(s) and 3 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 C16H28ClNO2?
The CAS number of C16H28ClNO2 is 471289-46-0.
What is the molecular formula of C16H28ClNO2?
The molecular formula of C16H28ClNO2 is C16H28ClNO2.
What is the molecular weight of C16H28ClNO2?
The molecular weight of C16H28ClNO2 is 301.18 g/mol.
Where can I buy C16H28ClNO2?
You can request a quote for C16H28ClNO2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H28ClNO2?
Yes, KEHONG BIO provides custom synthesis services for C16H28ClNO2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.