N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine
TL;DR: N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine (CAS 866155-01-3) is a chemical compound with molecular formula C18H14Cl2N4O2 and molecular weight 388.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis[(4-chlorophenyl)methyl]-5-nitropyrimidin-2-amine
Also Known As: N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine, N,N-bis[(4-chlorophenyl)methyl]-5-nitropyrimidin-2-amine, N,N-bis[(4-chlorophenyl)methyl]-5-nitro-pyrimidin-2-amine, C18H14Cl2N4O2
| Molecular Formula | C18H14Cl2N4O2 |
|---|---|
| Molecular Weight | 388.05 g/mol |
| LogP | 4.8984 |
| Topological Polar Surface Area | 72.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.04938 |
| Heavy Atoms | 26 |
| Complexity | 837.07446 |
Chemical Identifiers
| CAS Number | 866155-01-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CN(CC2=CC=C(C=C2)Cl)C3=NC=C(C=N3)[N+](=O)[O-])Cl |
Product Overview
N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine (CAS 866155-01-3), with molecular formula C18H14Cl2N4O2 and molecular weight 388.05 g/mol. IUPAC: N,N-bis[(4-chlorophenyl)methyl]-5-nitropyrimidin-2-amine.
Chemical Property Profile of N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine
Property Insights of N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine
The XLogP value of 4.8984 indicates that N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine. Following Lipinski's Rule of Five, N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine has 0 hydrogen bond donor(s) and 5 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 N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine?
The CAS number of N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine is 866155-01-3.
What is the molecular formula of N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine?
The molecular formula of N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine is C18H14Cl2N4O2.
What is the molecular weight of N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine?
The molecular weight of N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine is 388.05 g/mol.
Where can I buy N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine?
You can request a quote for N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(4-chlorobenzyl)-5-nitro-2-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.