Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro-
TL;DR: Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro- (CAS 28740-77-4) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-9-one
Also Known As: 5-24-03-00337 (Beilstein Handbook Reference), Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro-, 3,4,6,7-Tetrahydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro-2h-[1,4]diazepino[6,7,1-hi]indol-1-one, 1,10-diazatricyclo[6.4.1.0?,??]trideca-4,6,8(13)-trien-9-one
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 28740-77-4 |
|---|---|
| SMILES | C1CN2CCNC(=O)C3=CC=CC1=C32 |
| InChIKey | QNDXHROLCKSDCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro- (CAS 28740-77-4), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-9-one.
Chemical Property Profile of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro-
Property Insights of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro-. With a topological polar surface area (TPSA) of 32.3 Ų, Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro- has 1 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-1(2H)-one, 3,4,6,7-tetrahydro-?
The CAS number of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro- is 28740-77-4.
What is the molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro-?
The molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro- is C11H12N2O.
What is the molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro-?
The molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro- is 188.09 g/mol.
Where can I buy Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro-?
You can request a quote for Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro- 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-1(2H)-one, 3,4,6,7-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.