Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl-
TL;DR: Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl- (CAS 55441-55-9) is a chemical compound with molecular formula C17H13ClN2O and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
Also Known As: 5-24-04-00561 (Beilstein Handbook Reference), Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl-, 9-chloro-1-phenyl-6,7-dihydro[1,4]diazepino[6,7,1-hi]indol-4(3h)-one, 9-Chloro-6,7-dihydro-1-phenylpyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6-chloro-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
| Molecular Formula | C17H13ClN2O |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.07166 |
| Heavy Atoms | 21 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 55441-55-9 |
|---|---|
| SMILES | C1CN2C(=O)CN=C(C3=CC(=CC1=C32)Cl)C4=CC=CC=C4 |
| InChIKey | INSDICJWUIJIIV-UHFFFAOYSA-N |
Product Overview
Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl- (CAS 55441-55-9), with molecular formula C17H13ClN2O and molecular weight 296.07 g/mol. IUPAC: 6-chloro-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one.
Chemical Property Profile of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl-
Property Insights of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl-
The XLogP value of 3.3 indicates that Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl- has 0 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 Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl-?
The CAS number of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl- is 55441-55-9.
What is the molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl-?
The molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl- is C17H13ClN2O.
What is the molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl-?
The molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl- is 296.07 g/mol.
Where can I buy Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl-?
You can request a quote for Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.