![6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine structure](/static/products/1886/18861-37-5.webp)
6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
TL;DR: 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine (CAS 18861-37-5) is a chemical compound with molecular formula C23H23Cl2N5O2 and molecular weight 471.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
Also Known As: 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine, 6-[(4-{(E)-2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethen-1-yl}anilino)methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
| Molecular Formula | C23H23Cl2N5O2 |
|---|---|
| Molecular Weight | 471.12 g/mol |
| LogP | 4.5686 |
| Topological Polar Surface Area | 108.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.1229 |
| Heavy Atoms | 32 |
| Complexity | 1098.6196 |
Chemical Identifiers
| CAS Number | 18861-37-5 |
|---|---|
| SMILES | C1COC(O1)(CCl)/C=C/C2=CC=C(C=C2)NCC3=C(C(=NC(=N3)N)N)C4=CC=C(C=C4)Cl |
Product Overview
6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine (CAS 18861-37-5), with molecular formula C23H23Cl2N5O2 and molecular weight 471.12 g/mol. IUPAC: 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine.
Chemical Property Profile of 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
Property Insights of 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
The XLogP value of 4.5686 indicates that 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine has 3 hydrogen bond donor(s) and 7 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-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine?
The CAS number of 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine is 18861-37-5.
What is the molecular formula of 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine?
The molecular formula of 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine is C23H23Cl2N5O2.
What is the molecular weight of 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine?
The molecular weight of 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine is 471.12 g/mol.
Where can I buy 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine?
You can request a quote for 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.