Ethylchloroquine mustard
TL;DR: Ethylchloroquine mustard (CAS 63717-15-7) is a chemical compound with molecular formula C15H22Cl5N3O and molecular weight 435.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-bis(2-chloroethyl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine;hydrate;dihydrochloride
Also Known As: Ethyl chloroquine mustard, Ethylchloroquine mustard, Quinoline, 4-(2-(bis(2-chloroethyl)amino)ethylamino)-7-chloro-, dihydrochloride, monohydrate, 4-(2-Bis(beta-chloroethylamino)ethylamino)-7-chloroquinoline dihydrochloride monohydrate, 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-N'-(7-chloro-4-quinolinyl)-, dihydrochloride, monohydrate
| Molecular Formula | C15H22Cl5N3O |
|---|---|
| Molecular Weight | 435.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 29.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.0176 |
| Heavy Atoms | 24 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 63717-15-7 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2C=C1Cl)NCCN(CCCl)CCCl.O.Cl.Cl |
| InChIKey | WBTCXPXCQVQZCN-UHFFFAOYSA-N |
Product Overview
Ethylchloroquine mustard (CAS 63717-15-7), with molecular formula C15H22Cl5N3O and molecular weight 435.02 g/mol. IUPAC: N',N'-bis(2-chloroethyl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine;hydrate;dihydrochloride.
Chemical Property Profile of Ethylchloroquine mustard
Property Insights of Ethylchloroquine mustard
The XLogP value of 4.1 indicates that Ethylchloroquine mustard is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.2 Ų, Ethylchloroquine mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylchloroquine mustard has 4 hydrogen bond donor(s) and 4 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 Ethylchloroquine mustard?
The CAS number of Ethylchloroquine mustard is 63717-15-7.
What is the molecular formula of Ethylchloroquine mustard?
The molecular formula of Ethylchloroquine mustard is C15H22Cl5N3O.
What is the molecular weight of Ethylchloroquine mustard?
The molecular weight of Ethylchloroquine mustard is 435.02 g/mol.
Where can I buy Ethylchloroquine mustard?
You can request a quote for Ethylchloroquine mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylchloroquine mustard?
Yes, KEHONG BIO provides custom synthesis services for Ethylchloroquine mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.