n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline
TL;DR: n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline (CAS 16208-04-1) is a chemical compound with molecular formula C15H14Cl3N5 and molecular weight 369.0315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-chloroethyl)-4-(6-chloropurin-9-yl)aniline
Also Known As: NCIOpen2_008751, N,N-bis(2-chloroethyl)-4-(6-chloropurin-9-yl)aniline, n,n-bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline, BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-4-(6-CHLORO-9H-PURIN-9-YL)-
Technical Specifications
| Molecular Formula | C15H14Cl3N5 |
| Molecular Weight | 369.0315 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 46.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.0315 Da |
| Heavy Atoms | 23 |
| Complexity | 361.0 |
| SMILES | C1=CC(=CC=C1N2C=NC3=C2N=CN=C3Cl)N(CCCl)CCCl |
| InChIKey | QRPGGRCHUPLCMK-UHFFFAOYSA-N |
Chemical Property Profile of n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline
Property Insights of n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline
The XLogP value of 4.0 indicates that n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.8 Ų, n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline?
The CAS number of n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline is 16208-04-1.
What is the molecular formula of n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline?
The molecular formula of n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline is C15H14Cl3N5.
What is the molecular weight of n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline?
The molecular weight of n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline is 369.0315 g/mol.
Where can I buy n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline?
You can request a quote for n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline?
Yes, CoreyChem provides custom synthesis services for n,n-Bis(2-chloroethyl)-4-(6-chloro-9h-purin-9-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.