I8FL9GD5ZW
TL;DR: I8FL9GD5ZW (CAS 31873-96-8) is a chemical compound with molecular formula C18H24ClN3 and molecular weight 317.16586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N-[3-(4-aminophenyl)butyl]-4-N-(2-chloroethyl)benzene-1,4-diamine
Also Known As: 4-N-[3-(4-aminophenyl)butyl]-4-N-(2-chloroethyl)benzene-1,4-diamine, N-(2-CHLOROETHYL)-N'-METHYL-N,N'-BIS(4-AMINOPHENYL)ETHYLENEDIAMINE DIHYDROCHLORI, N-(2-Chloroethyl)-N'-methyl-N,N'-bis(4-aminophenyl)ethylenediamine dihydrochloride, 1,4-Benzenediamine, N-(2-((4-aminophenyl)(2-chloroethyl)amino)ethyl)-N-methyl-, dihydrochloride, NSC 134445
Technical Specifications
| Molecular Formula | C18H24ClN3 |
| Molecular Weight | 317.16586 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 55.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.16586 Da |
| Heavy Atoms | 22 |
| Complexity | 297.0 |
| SMILES | CC(CCN(CCCl)C1=CC=C(C=C1)N)C2=CC=C(C=C2)N |
| InChIKey | PXTOLQIJFDDRMB-UHFFFAOYSA-N |
Chemical Property Profile of I8FL9GD5ZW
Property Insights of I8FL9GD5ZW
The XLogP value of 3.9 indicates that I8FL9GD5ZW is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, I8FL9GD5ZW exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, I8FL9GD5ZW has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of I8FL9GD5ZW?
The CAS number of I8FL9GD5ZW is 31873-96-8.
What is the molecular formula of I8FL9GD5ZW?
The molecular formula of I8FL9GD5ZW is C18H24ClN3.
What is the molecular weight of I8FL9GD5ZW?
The molecular weight of I8FL9GD5ZW is 317.16586 g/mol.
Where can I buy I8FL9GD5ZW?
You can request a quote for I8FL9GD5ZW directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for I8FL9GD5ZW?
Yes, CoreyChem provides custom synthesis services for I8FL9GD5ZW and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.