ICR 180
TL;DR: ICR 180 (CAS 38925-90-5) is a chemical compound with molecular formula C15H22Cl3N3O and molecular weight 365.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-N'-(6-methoxyquinolin-4-yl)propane-1,3-diamine;dihydrochloride
Also Known As: 1,3-Propanediamine, N-(2-chloroethyl)-N'-(6-methoxy-4-quinolinyl)-, dihydrochloride, 4-((3-((2-Chloroethyl)amino)propyl)amino)-6-methoxyquinoline dihydrochloride, Quinoline, 4-((3-((2-chloroethyl)amino)propyl)amino)-6-methoxy-, dihydrochloride, N-(2-chloroethyl)-N'-(6-methoxyquinolin-4-yl)propane-1,3-diamine dihydrochloride, N~1~-(2-Chloroethyl)-N~3~-(6-methoxyquinolin-4-yl)propane-1,3-diamine--hydrogen chloride (1/2)
| Molecular Formula | C15H22Cl3N3O |
|---|---|
| Molecular Weight | 365.08 g/mol |
| LogP | 3.7174 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.08286 |
| Heavy Atoms | 22 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 38925-90-5 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)NCCCNCCCl.Cl.Cl |
| InChIKey | NONYHNSUNYIEJM-UHFFFAOYSA-N |
Product Overview
ICR 180 (CAS 38925-90-5), with molecular formula C15H22Cl3N3O and molecular weight 365.08 g/mol. IUPAC: N-(2-chloroethyl)-N'-(6-methoxyquinolin-4-yl)propane-1,3-diamine;dihydrochloride.
Chemical Property Profile of ICR 180
Property Insights of ICR 180
The XLogP value of 3.7174 indicates that ICR 180 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, ICR 180 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ICR 180 has 4 hydrogen bond donor(s) and 4 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 ICR 180?
The CAS number of ICR 180 is 38925-90-5.
What is the molecular formula of ICR 180?
The molecular formula of ICR 180 is C15H22Cl3N3O.
What is the molecular weight of ICR 180?
The molecular weight of ICR 180 is 365.08 g/mol.
Where can I buy ICR 180?
You can request a quote for ICR 180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR 180?
Yes, KEHONG BIO provides custom synthesis services for ICR 180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.