Quinacrine half mustard
TL;DR: Quinacrine half mustard (CAS 68725-63-3) is a chemical compound with molecular formula C23H31Cl4N3O and molecular weight 505.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-ethylpentane-1,4-diamine;dihydrochloride
Also Known As: Quinacrine half mustard, 1-N-(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-ethylpentane-1,4-diamine;dihydrochloride, 1,4-Pentanediamine, N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-N-ethyl-, dihydrochloride, 1-N-(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-ethylpentane-1,4-diamine dihydrochloride, N-(2-Chloroethyl)-4-[(6-chloro-2-methoxyacridin-9(10H)-ylidene)amino]-N-ethylpentan-1-amine--hydrogen chloride (1/2)
| Molecular Formula | C23H31Cl4N3O |
|---|---|
| Molecular Weight | 505.12 g/mol |
| LogP | 7.0349 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 505.12213 |
| Heavy Atoms | 31 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 68725-63-3 |
|---|---|
| SMILES | CCN(CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCl.Cl.Cl |
| InChIKey | SBSVQAUSANZYMY-UHFFFAOYSA-N |
Product Overview
Quinacrine half mustard (CAS 68725-63-3), with molecular formula C23H31Cl4N3O and molecular weight 505.12 g/mol. IUPAC: 1-N-(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-ethylpentane-1,4-diamine;dihydrochloride.
Chemical Property Profile of Quinacrine half mustard
Property Insights of Quinacrine half mustard
The XLogP value of 7.0349 indicates that Quinacrine half mustard is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, Quinacrine half mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinacrine half mustard has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinacrine half mustard?
The CAS number of Quinacrine half mustard is 68725-63-3.
What is the molecular formula of Quinacrine half mustard?
The molecular formula of Quinacrine half mustard is C23H31Cl4N3O.
What is the molecular weight of Quinacrine half mustard?
The molecular weight of Quinacrine half mustard is 505.12 g/mol.
Where can I buy Quinacrine half mustard?
You can request a quote for Quinacrine half mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinacrine half mustard?
Yes, KEHONG BIO provides custom synthesis services for Quinacrine half mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.