9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride
TL;DR: 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride (CAS 28740-99-0) is a chemical compound with molecular formula C17H18Cl2N2 and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-10-phenyl-1,9-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene;hydrochloride
Also Known As: 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride, 1,2,3,4,6,7-Hexahydro-9-chloro-2-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride, Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,3,4,6,7-hexahydro-9-chloro-2-phenyl-, monohydrochloride, 9-Chloro-2-phenyl-1,2,3,4,6,7-hexahydro[1,4]diazepino[3,2,1-hi]indole--hydrogen chloride (1/1), RefChem:378175
| Molecular Formula | C17H18Cl2N2 |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 4.6812 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.08472 |
| Heavy Atoms | 21 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 28740-99-0 |
|---|---|
| SMILES | C1CN2CCC3=C2C(=CC(=C3)Cl)NC1C4=CC=CC=C4.Cl |
| InChIKey | DAKVTZUQZJNMSD-UHFFFAOYSA-N |
Product Overview
9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride (CAS 28740-99-0), with molecular formula C17H18Cl2N2 and molecular weight 320.08 g/mol. IUPAC: 6-chloro-10-phenyl-1,9-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene;hydrochloride.
Chemical Property Profile of 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride
Property Insights of 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride
The XLogP value of 4.6812 indicates that 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.3 Ų, 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride 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 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride?
The CAS number of 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride is 28740-99-0.
What is the molecular formula of 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride?
The molecular formula of 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride is C17H18Cl2N2.
What is the molecular weight of 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride?
The molecular weight of 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride is 320.08 g/mol.
Where can I buy 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride?
You can request a quote for 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.