Ici 85966
TL;DR: Ici 85966 (CAS 51949-55-4) is a chemical compound with molecular formula C28H34Cl4N2O2 and molecular weight 570.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-4-[4-[bis(2-chloroethyl)carbamoyl]phenyl]hex-3-en-3-yl]-N,N-bis(2-chloroethyl)benzamide
Also Known As: Ici 85966, 3,4-Bis(4-N-bis(2-chloroethyl)carbamoyl)-phenylhex-3-ene, 4-[(E)-4-[4-[bis(2-chloroethyl)carbamoyl]phenyl]hex-3-en-3-yl]-N,N-bis(2-chloroethyl)benzamide, Benzamide, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis(N,N-bis(2-chloroethyl))-, (E)-, Benzamide, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis(N,N-bis(2-chloroethyl)-, (E)-
| Molecular Formula | C28H34Cl4N2O2 |
|---|---|
| Molecular Weight | 570.14 g/mol |
| LogP | 7.257 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 570.13745 |
| Heavy Atoms | 36 |
| Complexity | 913.71466 |
Chemical Identifiers
| CAS Number | 51949-55-4 |
|---|---|
| SMILES | CC/C(=C(/CC)\C1=CC=C(C=C1)C(=O)N(CCCl)CCCl)/C2=CC=C(C=C2)C(=O)N(CCCl)CCCl |
Product Overview
Ici 85966 (CAS 51949-55-4), with molecular formula C28H34Cl4N2O2 and molecular weight 570.14 g/mol. IUPAC: 4-[(E)-4-[4-[bis(2-chloroethyl)carbamoyl]phenyl]hex-3-en-3-yl]-N,N-bis(2-chloroethyl)benzamide.
Chemical Property Profile of Ici 85966
Property Insights of Ici 85966
The XLogP value of 7.257 indicates that Ici 85966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, Ici 85966 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ici 85966 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 85966?
The CAS number of Ici 85966 is 51949-55-4.
What is the molecular formula of Ici 85966?
The molecular formula of Ici 85966 is C28H34Cl4N2O2.
What is the molecular weight of Ici 85966?
The molecular weight of Ici 85966 is 570.14 g/mol.
Where can I buy Ici 85966?
You can request a quote for Ici 85966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici 85966?
Yes, KEHONG BIO provides custom synthesis services for Ici 85966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.