EINECS 278-556-0
TL;DR: EINECS 278-556-0 (CAS 76823-79-5) is a chemical compound with molecular formula C38H43Cl3N2O4 and molecular weight 696.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)butanoate;dihydrochloride
Also Known As: EINECS 278-556-0, 2-[2-[4-[(4-chlorophenyl)benzyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)butyrate dihydrochloride, 2-(2-(4-((4-Chlorophenyl)benzyl)piperazin-1-yl)ethoxy)ethyl 2-(3-benzoylphenyl)butyrate dihydrochloride, 2-(2-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethyl 2-(3-benzoylphenyl)butanoate--hydrogen chloride (1/2), 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)butanoate dihydrochloride
| Molecular Formula | C38H43Cl3N2O4 |
|---|---|
| Molecular Weight | 696.23 g/mol |
| LogP | 7.8752 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 696.2288 |
| Heavy Atoms | 47 |
| Complexity | 1515.2212 |
Chemical Identifiers
| CAS Number | 76823-79-5 |
|---|---|
| SMILES | CCC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)OCCOCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl.Cl |
Product Overview
EINECS 278-556-0 (CAS 76823-79-5), with molecular formula C38H43Cl3N2O4 and molecular weight 696.23 g/mol. IUPAC: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)butanoate;dihydrochloride.
Chemical Property Profile of EINECS 278-556-0
Property Insights of EINECS 278-556-0
The XLogP value of 7.8752 indicates that EINECS 278-556-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, EINECS 278-556-0 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 278-556-0 has 0 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 EINECS 278-556-0?
The CAS number of EINECS 278-556-0 is 76823-79-5.
What is the molecular formula of EINECS 278-556-0?
The molecular formula of EINECS 278-556-0 is C38H43Cl3N2O4.
What is the molecular weight of EINECS 278-556-0?
The molecular weight of EINECS 278-556-0 is 696.23 g/mol.
Where can I buy EINECS 278-556-0?
You can request a quote for EINECS 278-556-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 278-556-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 278-556-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.