9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl
TL;DR: 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl (CAS 75017-65-1) is a chemical compound with molecular formula C21H24Cl3N3 and molecular weight 423.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-7-phenyl-3-prop-2-enyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine;dihydrochloride
Also Known As: 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl, Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-(2-propenyl)-7-phenyl-,dihydrochloride, 9-Chloro-7-phenyl-3-(prop-2-en-1-yl)-1,2,3,4,4a,5-hexahydropyrazino[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/2), 9-chloro-7-phenyl-3-prop-2-enyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine dihydrochloride, RefChem:376015
| Molecular Formula | C21H24Cl3N3 |
|---|---|
| Molecular Weight | 423.10 g/mol |
| LogP | 4.7112 |
| Topological Polar Surface Area | 18.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.10358 |
| Heavy Atoms | 27 |
| Complexity | 807.57404 |
Chemical Identifiers
| CAS Number | 75017-65-1 |
|---|---|
| SMILES | C=CCN1CCN2C(C1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.Cl.Cl |
Product Overview
9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl (CAS 75017-65-1), with molecular formula C21H24Cl3N3 and molecular weight 423.10 g/mol. IUPAC: 9-chloro-7-phenyl-3-prop-2-enyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine;dihydrochloride.
Chemical Property Profile of 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl
Property Insights of 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl
The XLogP value of 4.7112 indicates that 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.84 Ų, 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl has 0 hydrogen bond donor(s) and 3 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 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl?
The CAS number of 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl is 75017-65-1.
What is the molecular formula of 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl?
The molecular formula of 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl is C21H24Cl3N3.
What is the molecular weight of 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl?
The molecular weight of 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl is 423.10 g/mol.
Where can I buy 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl?
You can request a quote for 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl?
Yes, KEHONG BIO provides custom synthesis services for 9-Chloro-3-allyl-7-phenyl-1,2,3,4,4a,5-hexahydropyrazino(1,2-a)(1,4)benzodiazepine 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.