4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline
TL;DR: 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline (CAS 57521-14-9) is a chemical compound with molecular formula C12H10Cl3N and molecular weight 272.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-3-(2-chloroethyl)-2-methylquinoline
Also Known As: <10>-helicene, 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline, NCI60_026006, Quinoline, 4,6-dichloro-3-(2-chloroethyl)-2-methyl-, AO-476/14513014
| Molecular Formula | C12H10Cl3N |
|---|---|
| Molecular Weight | 272.99 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.98788 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 57521-14-9 |
|---|---|
| SMILES | CC1=C(C(=C2C=C(C=CC2=N1)Cl)Cl)CCCl |
| InChIKey | UWRNWBVHBOCMTP-UHFFFAOYSA-N |
Product Overview
4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline (CAS 57521-14-9), with molecular formula C12H10Cl3N and molecular weight 272.99 g/mol. IUPAC: 4,6-dichloro-3-(2-chloroethyl)-2-methylquinoline.
Chemical Property Profile of 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline
Property Insights of 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline
The XLogP value of 4.7 indicates that 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline 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 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline?
The CAS number of 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline is 57521-14-9.
What is the molecular formula of 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline?
The molecular formula of 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline is C12H10Cl3N.
What is the molecular weight of 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline?
The molecular weight of 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline is 272.99 g/mol.
Where can I buy 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline?
You can request a quote for 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.