ICR 58
TL;DR: ICR 58 (CAS 38925-92-7) is a chemical compound with molecular formula C17H27Cl4N3O2 and molecular weight 445.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ICR 58
N',N'-bis(2-chloroethyl)-N-(6-methoxyquinolin-4-yl)propane-1,3-diamine;hydrate;dihydrochloride
Also Known As: 1,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(6-methoxy-4-quinolinyl)-, dihydrochloride, hydrate, 4-((3-(Bis(2-chloroethyl)amino)propyl)amino)-6-methoxyquinoline dihydrochloride hydrate, Quinoline, 4-((3-(bis(2-chloroethyl)amino)propyl)amino)-6-methoxy-, dihydrochloride, hydrate, N',N'-bis(2-chloroethyl)-N-(6-methoxyquinolin-4-yl)propane-1,3-diamine hydrate dihydrochloride, N~1~,N~1~-Bis(2-chloroethyl)-N~3~-(6-methoxyquinolin-4-yl)propane-1,3-diamine--hydrogen chloride--water (1/2/1)
| Molecular Formula | C17H27Cl4N3O2 |
|---|---|
| Molecular Weight | 445.09 g/mol |
| LogP | 3.8439 |
| Topological Polar Surface Area | 38.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 445.08572 |
| Heavy Atoms | 26 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 38925-92-7 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)NCCCN(CCCl)CCCl.O.Cl.Cl |
| InChIKey | QQQFAUJRZTVLNP-UHFFFAOYSA-N |
Product Overview
ICR 58 (CAS 38925-92-7), with molecular formula C17H27Cl4N3O2 and molecular weight 445.09 g/mol. IUPAC: N',N'-bis(2-chloroethyl)-N-(6-methoxyquinolin-4-yl)propane-1,3-diamine;hydrate;dihydrochloride.
Chemical Property Profile of ICR 58
Property Insights of ICR 58
The XLogP value of 3.8439 indicates that ICR 58 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.4 Ų, ICR 58 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ICR 58 has 4 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 ICR 58?
The CAS number of ICR 58 is 38925-92-7.
What is the molecular formula of ICR 58?
The molecular formula of ICR 58 is C17H27Cl4N3O2.
What is the molecular weight of ICR 58?
The molecular weight of ICR 58 is 445.09 g/mol.
Where can I buy ICR 58?
You can request a quote for ICR 58 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR 58?
Yes, KEHONG BIO provides custom synthesis services for ICR 58 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.