N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine
TL;DR: N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine (CAS 72667-36-8) is a chemical compound with molecular formula C18H20ClN3 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-acridin-9-yl-N-(2-chloroethyl)propane-1,3-diamine
Also Known As: ICR 449, N'-acridin-9-yl-N'-(2-chloroethyl)propane-1,3-diamine, N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine, 1,3-Propanediamine, N-(9-acridinyl)-N'-(2-chloroethyl)-, 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-
| Molecular Formula | C18H20ClN3 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 37.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.13458 |
| Heavy Atoms | 22 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 72667-36-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCNCCCl |
| InChIKey | YIGBQRORWFIZKB-UHFFFAOYSA-N |
Product Overview
N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine (CAS 72667-36-8), with molecular formula C18H20ClN3 and molecular weight 313.13 g/mol. IUPAC: N'-acridin-9-yl-N-(2-chloroethyl)propane-1,3-diamine.
Chemical Property Profile of N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine
Property Insights of N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine
The XLogP value of 4.6 indicates that N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.0 Ų, N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine 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
Frequently Asked Questions
What is the CAS number of N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine?
The CAS number of N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine is 72667-36-8.
What is the molecular formula of N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine?
The molecular formula of N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine is C18H20ClN3.
What is the molecular weight of N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine?
The molecular weight of N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine is 313.13 g/mol.
Where can I buy N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine?
You can request a quote for N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine?
Yes, KEHONG BIO provides custom synthesis services for N-(9-Acridinyl)-N'-(2-chloroethyl)-1,3-propanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.