RefChem:346858
TL;DR: RefChem:346858 (CAS 69415-46-9) is a chemical compound with molecular formula C24H24BrCl2N3O and molecular weight 519.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[N-(4-chlorophenyl)-N'-[2-(4-chlorophenyl)ethyl]carbamimidoyl]-(4-prop-2-enoxyphenyl)azanium bromide
Also Known As: Guanidine, 1-(p-allyloxyphenyl)-3-(p-chlorophenethyl)-2-(p-chlorophenyl)-, hydrobromide, 1-(p-Allyloxyphenyl)-3-(p-chlorophenethyl)-2-(p-chlorophenyl)guanidine hydrobromide, N-(p-Chlorophenyl)-N'-(p-allyloxyphenyl)-N''-(p-chlorophenethyl) guanidine hydrobromide, [N-(4-chlorophenyl)-N'-[2-(4-chlorophenyl)ethyl]carbamimidoyl]-(4-prop-2-enoxyphenyl)azanium bromide, RefChem:346858
| Molecular Formula | C24H24BrCl2N3O |
|---|---|
| Molecular Weight | 519.05 g/mol |
| LogP | 2.47 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 519.048 |
| Heavy Atoms | 31 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 69415-46-9 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)[NH2+]C(=NCCC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)Cl.[Br-] |
| InChIKey | FTOHEJQIKDWLTF-UHFFFAOYSA-N |
Product Overview
RefChem:346858 (CAS 69415-46-9), with molecular formula C24H24BrCl2N3O and molecular weight 519.05 g/mol. IUPAC: [N-(4-chlorophenyl)-N'-[2-(4-chlorophenyl)ethyl]carbamimidoyl]-(4-prop-2-enoxyphenyl)azanium bromide.
Chemical Property Profile of RefChem:346858
Property Insights of RefChem:346858
The XLogP value of 2.47 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:346858. With a topological polar surface area (TPSA) of 50.2 Ų, RefChem:346858 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:346858 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:346858?
The CAS number of RefChem:346858 is 69415-46-9.
What is the molecular formula of RefChem:346858?
The molecular formula of RefChem:346858 is C24H24BrCl2N3O.
What is the molecular weight of RefChem:346858?
The molecular weight of RefChem:346858 is 519.05 g/mol.
Where can I buy RefChem:346858?
You can request a quote for RefChem:346858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:346858?
Yes, KEHONG BIO provides custom synthesis services for RefChem:346858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.