Ro 41-3118
TL;DR: Ro 41-3118 (CAS 108841-81-2) is a chemical compound with molecular formula C15H20ClN3 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-chloroquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
Also Known As: 7-CHLORO-N-[2-(DIETHYLAMINO)ETHYL]QUINOLIN-4-AMINE, Ro 41-3118, Ro-41-3118, (7-chloro-4-quinolinyl)[2-(diethylamino)ethyl]amine, N'-(7-chloroquinolin-4-yl)-N,N-diethylethane-1,2-diamine
| Molecular Formula | C15H20ClN3 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.13458 |
| Heavy Atoms | 19 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 108841-81-2 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C=CC(=CC2=NC=C1)Cl |
| InChIKey | OJGAAQMNLKYWSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro 41-3118 (CAS 108841-81-2), with molecular formula C15H20ClN3 and molecular weight 277.13 g/mol. IUPAC: N-(7-chloroquinolin-4-yl)-N',N'-diethylethane-1,2-diamine.
Chemical Property Profile of Ro 41-3118
Property Insights of Ro 41-3118
The XLogP value of 3.5 indicates that Ro 41-3118 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Ro 41-3118 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 41-3118 has 1 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 Ro 41-3118?
The CAS number of Ro 41-3118 is 108841-81-2.
What is the molecular formula of Ro 41-3118?
The molecular formula of Ro 41-3118 is C15H20ClN3.
What is the molecular weight of Ro 41-3118?
The molecular weight of Ro 41-3118 is 277.13 g/mol.
Where can I buy Ro 41-3118?
You can request a quote for Ro 41-3118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 41-3118?
Yes, KEHONG BIO provides custom synthesis services for Ro 41-3118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.