Ici 79792
TL;DR: Ici 79792 (CAS 56896-75-4) is a chemical compound with molecular formula C28H31Cl2NO and molecular weight 467.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine
Also Known As: Ici 79792, Ethanamine, N,N-bis(2-chloroethyl)-2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-, hydrochloride, (Z)-, N,N-bis(2-chloroethyl)-2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine, 1-(4-(beta-Bis(2-chloroethyl)amino)ethoxyphenyl)-trans-diphenylbut-1-ene hydrochloride, 1-(4-(beta-bis(2-chloroethyl)amino)ethoxyphenyl)-trans-diphenylbut-1-ene.HCl
| Molecular Formula | C28H31Cl2NO |
|---|---|
| Molecular Weight | 467.18 g/mol |
| LogP | 7.2141 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 467.17828 |
| Heavy Atoms | 32 |
| Complexity | 949.7421 |
Chemical Identifiers
| CAS Number | 56896-75-4 |
|---|---|
| SMILES | CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(CCCl)CCCl)/C3=CC=CC=C3 |
Product Overview
Ici 79792 (CAS 56896-75-4), with molecular formula C28H31Cl2NO and molecular weight 467.18 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine.
Chemical Property Profile of Ici 79792
Property Insights of Ici 79792
The XLogP value of 7.2141 indicates that Ici 79792 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, Ici 79792 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ici 79792 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ici 79792?
The CAS number of Ici 79792 is 56896-75-4.
What is the molecular formula of Ici 79792?
The molecular formula of Ici 79792 is C28H31Cl2NO.
What is the molecular weight of Ici 79792?
The molecular weight of Ici 79792 is 467.18 g/mol.
Where can I buy Ici 79792?
You can request a quote for Ici 79792 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici 79792?
Yes, KEHONG BIO provides custom synthesis services for Ici 79792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.