1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride
TL;DR: 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride (CAS 13822-05-4) is a chemical compound with molecular formula C16H19Cl3N2 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine-2,5-diium dichloride
Also Known As: WY 5244, 2,5-BENZODIAZOCINE, 1-(p-CHLOROPHENYL)-1,2,3,4,5,6-HEXAHYDRO-, DIHYDROCHLORIDE, 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride, 2,5-Benzodiazocine, 1-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-, dihydrochloride, 6-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine-2,5-diium dichloride
| Molecular Formula | C16H19Cl3N2 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | -4.92 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.06137 |
| Heavy Atoms | 21 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 13822-05-4 |
|---|---|
| SMILES | C1C[NH2+]C(C2=CC=CC=C2C[NH2+]1)C3=CC=C(C=C3)Cl.[Cl-].[Cl-] |
| InChIKey | YSEKTJDZLUWDBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride (CAS 13822-05-4), with molecular formula C16H19Cl3N2 and molecular weight 344.06 g/mol. IUPAC: 6-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine-2,5-diium dichloride.
Chemical Property Profile of 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride
Property Insights of 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride
The XLogP value of -4.92 indicates that 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.2 Ų, 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride 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 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride?
The CAS number of 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride is 13822-05-4.
What is the molecular formula of 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride?
The molecular formula of 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride is C16H19Cl3N2.
What is the molecular weight of 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride?
The molecular weight of 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride is 344.06 g/mol.
Where can I buy 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride?
You can request a quote for 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.