RefChem:346857
TL;DR: RefChem:346857 (CAS 69415-47-0) is a chemical compound with molecular formula C24H24Br2ClN3O and molecular weight 563.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[N-(4-bromophenyl)-N'-[2-(4-chlorophenyl)ethyl]carbamimidoyl]-(4-prop-2-enoxyphenyl)azanium bromide
Also Known As: Guanidine, 1-(p-allyloxyphenyl)-3-(p-bromophenyl)-2-(p-chlorophenethyl)-, hydrobromide, 1-(p-Allyloxyphenyl)-3-(p-bromophenyl)-2-(p-chlorophenethyl)guanidene hydrobromide, N-(p-Bromophenyl)-N'-(p-allyloxyphenyl)-N''-(p-chlorophenethyl) guanidine hydrobromide, [N-(4-bromophenyl)-N'-[2-(4-chlorophenyl)ethyl]carbamimidoyl]-(4-prop-2-enoxyphenyl)azanium bromide, RefChem:346857
| Molecular Formula | C24H24Br2ClN3O |
|---|---|
| Molecular Weight | 563.00 g/mol |
| LogP | 2.58 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 564.9954 |
| Heavy Atoms | 31 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 69415-47-0 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)[NH2+]C(=NCCC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)Br.[Br-] |
| InChIKey | YUXSOPVRXAGXRU-UHFFFAOYSA-N |
Product Overview
RefChem:346857 (CAS 69415-47-0), with molecular formula C24H24Br2ClN3O and molecular weight 563.00 g/mol. IUPAC: [N-(4-bromophenyl)-N'-[2-(4-chlorophenyl)ethyl]carbamimidoyl]-(4-prop-2-enoxyphenyl)azanium bromide.
Chemical Property Profile of RefChem:346857
Property Insights of RefChem:346857
The XLogP value of 2.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:346857. With a topological polar surface area (TPSA) of 50.2 Ų, RefChem:346857 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:346857 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:346857?
The CAS number of RefChem:346857 is 69415-47-0.
What is the molecular formula of RefChem:346857?
The molecular formula of RefChem:346857 is C24H24Br2ClN3O.
What is the molecular weight of RefChem:346857?
The molecular weight of RefChem:346857 is 563.00 g/mol.
Where can I buy RefChem:346857?
You can request a quote for RefChem:346857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:346857?
Yes, KEHONG BIO provides custom synthesis services for RefChem:346857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.