ICR 348
TL;DR: ICR 348 (CAS 77862-55-6) is a chemical compound with molecular formula C28H36Cl6F6N6O and molecular weight 796.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N-(2-chloroethyl)-N'-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine);hydrate;tetrahydrochloride
Also Known As: C14H15ClF3N3.2ClH.1/2H2O, 1,2-Ethanediamine, N-(2-chloroethyl)-N'-(7-(trifluoromethyl)-4-quinolinyl)-, dihydrochloride, hemihydrate, C14-H15-Cl-F3-N3.2Cl-H.1/2H2-O, Quinoline, 4-((2-((2-chloroethyl)amino)ethyl)amino)-7-trifluoromethyl-, 2HCl, hemihydrate, 1,2-Ethanediamine, N-(2-chloroethyl)-N'-[7-(trifluoromethyl)-4-quinolinyl]-, dihydrochloride, hemihydrate
| Molecular Formula | C28H36Cl6F6N6O |
|---|---|
| Molecular Weight | 796.10 g/mol |
| LogP | 7.8503 |
| Topological Polar Surface Area | 105.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 796.0986 |
| Heavy Atoms | 47 |
| Complexity | 1331.377 |
Chemical Identifiers
| CAS Number | 77862-55-6 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2C=C1C(F)(F)F)NCCNCCCl.C1=CC2=C(C=CN=C2C=C1C(F)(F)F)NCCNCCCl.O.Cl.Cl.Cl.Cl |
Product Overview
ICR 348 (CAS 77862-55-6), with molecular formula C28H36Cl6F6N6O and molecular weight 796.10 g/mol. IUPAC: bis(N-(2-chloroethyl)-N'-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine);hydrate;tetrahydrochloride.
Chemical Property Profile of ICR 348
Property Insights of ICR 348
The XLogP value of 7.8503 indicates that ICR 348 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ICR 348. Following Lipinski's Rule of Five, ICR 348 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ICR 348?
The CAS number of ICR 348 is 77862-55-6.
What is the molecular formula of ICR 348?
The molecular formula of ICR 348 is C28H36Cl6F6N6O.
What is the molecular weight of ICR 348?
The molecular weight of ICR 348 is 796.10 g/mol.
Where can I buy ICR 348?
You can request a quote for ICR 348 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR 348?
Yes, KEHONG BIO provides custom synthesis services for ICR 348 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.