ICR 312
TL;DR: ICR 312 (CAS 38915-49-0) is a chemical compound with molecular formula C21H24Cl3N3O and molecular weight 439.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-benzo[c]acridin-7-yl-N-(2-chloroethyl)ethane-1,2-diamine;hydrate;dihydrochloride
Also Known As: ICR 312, 1,2-Ethanediamine, N-benz(c)acridin-7-yl-N'-(2-chloroethyl)-, dihydrochloride, hydrate, 7-((2-((2-Chloroethyl)amino)ethyl)amino)benz(c)acridine dihydrochloride hydrate, Benz(c)acridine, 7-((2-((2-chloroethyl)amino)ethyl)amino)-, dihydrochloride hydrate, 1,2-Ethanediamine, N-benz[c]acridin-7-yl-N'-(2-chloroethyl)-, dihydrochloride
| Molecular Formula | C21H24Cl3N3O |
|---|---|
| Molecular Weight | 439.10 g/mol |
| LogP | 4.8004 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.09848 |
| Heavy Atoms | 28 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 38915-49-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4N=C32)NCCNCCCl.O.Cl.Cl |
| InChIKey | VDKGUMJGCUFEBC-UHFFFAOYSA-N |
Product Overview
ICR 312 (CAS 38915-49-0), with molecular formula C21H24Cl3N3O and molecular weight 439.10 g/mol. IUPAC: N'-benzo[c]acridin-7-yl-N-(2-chloroethyl)ethane-1,2-diamine;hydrate;dihydrochloride.
Chemical Property Profile of ICR 312
Property Insights of ICR 312
The XLogP value of 4.8004 indicates that ICR 312 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.0 Ų, ICR 312 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ICR 312 has 5 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 312?
The CAS number of ICR 312 is 38915-49-0.
What is the molecular formula of ICR 312?
The molecular formula of ICR 312 is C21H24Cl3N3O.
What is the molecular weight of ICR 312?
The molecular weight of ICR 312 is 439.10 g/mol.
Where can I buy ICR 312?
You can request a quote for ICR 312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ICR 312?
Yes, KEHONG BIO provides custom synthesis services for ICR 312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.