6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride
TL;DR: 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride (CAS 109544-09-4) is a chemical compound with molecular formula C11H15Cl4N5 and molecular weight 357.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-[(2-chloro-9-methylpurin-6-yl)methyl]ethanamine;hydrochloride
Also Known As: 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride, 2-Chloro-N-((2-chloro-9-methyl-9H-purin-6-yl)methyl)-N-(2-chloroethyl)ethanamine hydrochloride, 9H-Purine, 6-((bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-, monohydrochloride, 2-chloro-N-(2-chloroethyl)-N-[(2-chloro-9-methylpurin-6-yl)methyl]ethanamine hydrochloride, 2-chloro-N-(2-chloroethyl)-N-[(2-chloro-9-methylpurin-6-yl)methyl]ethanamine,hydrochloride
| Molecular Formula | C11H15Cl4N5 |
|---|---|
| Molecular Weight | 357.01 g/mol |
| LogP | 2.7181 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.00815 |
| Heavy Atoms | 20 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 109544-09-4 |
|---|---|
| SMILES | CN1C=NC2=C(N=C(N=C21)Cl)CN(CCCl)CCCl.Cl |
| InChIKey | KFLTYWYINKCIDS-UHFFFAOYSA-N |
Product Overview
6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride (CAS 109544-09-4), with molecular formula C11H15Cl4N5 and molecular weight 357.01 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[(2-chloro-9-methylpurin-6-yl)methyl]ethanamine;hydrochloride.
Chemical Property Profile of 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride
Property Insights of 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride
The XLogP value of 2.7181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride. With a topological polar surface area (TPSA) of 46.8 Ų, 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride has 1 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 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride?
The CAS number of 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride is 109544-09-4.
What is the molecular formula of 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride?
The molecular formula of 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride is C11H15Cl4N5.
What is the molecular weight of 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride?
The molecular weight of 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride is 357.01 g/mol.
Where can I buy 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride?
You can request a quote for 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6-((Bis(2-chloroethyl)amino)methyl)-2-chloro-9-methyl-9H-purine monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.