RefChem:305558
TL;DR: RefChem:305558 (CAS 4467-97-4) is a chemical compound with molecular formula C23H30Cl2N2 and molecular weight 404.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperazine-1,4-diium dichloride
Also Known As: 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(3-(4-methylpiperazinyl)propylidene)-, dihydrochloride, 5H-DIBENZO(a,d)CYCLOHEPTENE, 10,11-DIHYDRO-5-(3-(4-METHYLPIPERAZINYL)PROPYLIDENE, Piperazine, 1-(3-(10,11-dihydro-5H-dibenzo(a,d]cyclohepten-5-ylidene)propyl]-4-methyl-, dihydrochloride, RefChem:305558
| Molecular Formula | C23H30Cl2N2 |
|---|---|
| Molecular Weight | 404.18 g/mol |
| LogP | -4.97 |
| Topological Polar Surface Area | 8.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.17862 |
| Heavy Atoms | 27 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 4467-97-4 |
|---|---|
| SMILES | C[NH+]1CC[NH+](CC1)CCC=C2C3=CC=CC=C3CCC4=CC=CC=C42.[Cl-].[Cl-] |
| InChIKey | VJUCWUUMOWVBFW-UHFFFAOYSA-N |
Product Overview
RefChem:305558 (CAS 4467-97-4), with molecular formula C23H30Cl2N2 and molecular weight 404.18 g/mol. IUPAC: 1-methyl-4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperazine-1,4-diium dichloride.
Chemical Property Profile of RefChem:305558
Property Insights of RefChem:305558
The XLogP value of -4.97 indicates that RefChem:305558 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 8.9 Ų, RefChem:305558 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305558 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:305558?
The CAS number of RefChem:305558 is 4467-97-4.
What is the molecular formula of RefChem:305558?
The molecular formula of RefChem:305558 is C23H30Cl2N2.
What is the molecular weight of RefChem:305558?
The molecular weight of RefChem:305558 is 404.18 g/mol.
Where can I buy RefChem:305558?
You can request a quote for RefChem:305558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305558?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.