RefChem:452821
TL;DR: RefChem:452821 (CAS 70236-45-2) is a chemical compound with molecular formula C23H29Cl3N3Zn+ and molecular weight 516.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile;zinc;trihydrochloride
Also Known As: EINECS 274-478-6, 2-(2-(4-((2-Cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium trichlorozincate, 2-[2-[4-[(2-CYANOETHYL)METHYLAMINO]PHENYL]VINYL]-1,3,3-TRIMETHYL-3H-INDOLIUM TRICHLOROZINCATE, 3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, trichlorozincate(1-), 3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, trichlorozincate(1-) (1:1)
| Molecular Formula | C23H29Cl3N3Zn+ |
|---|---|
| Molecular Weight | 516.07 g/mol |
| LogP | 6.01878 |
| Topological Polar Surface Area | 30.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.07184 |
| Heavy Atoms | 30 |
| Complexity | 916.0357 |
Chemical Identifiers
| CAS Number | 70236-45-2 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCC#N)C)C.Cl.Cl.Cl.[Zn] |
Product Overview
RefChem:452821 (CAS 70236-45-2), with molecular formula C23H29Cl3N3Zn+ and molecular weight 516.07 g/mol. IUPAC: 3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile;zinc;trihydrochloride.
Chemical Property Profile of RefChem:452821
Property Insights of RefChem:452821
The XLogP value of 6.01878 indicates that RefChem:452821 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.04 Ų, RefChem:452821 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:452821 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 RefChem:452821?
The CAS number of RefChem:452821 is 70236-45-2.
What is the molecular formula of RefChem:452821?
The molecular formula of RefChem:452821 is C23H29Cl3N3Zn+.
What is the molecular weight of RefChem:452821?
The molecular weight of RefChem:452821 is 516.07 g/mol.
Where can I buy RefChem:452821?
You can request a quote for RefChem:452821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:452821?
Yes, KEHONG BIO provides custom synthesis services for RefChem:452821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.