Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro-
TL;DR: Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro- (CAS 28740-91-2) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 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-triene
Also Known As: 5-23-07-00028 (Beilstein Handbook Reference), Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro-, 1,10-Diazatricyclo[6.4.1.0,4,13]trideca-4,6,8(13)-triene, 1,2,3,4,6,7-Hexahydropyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-Hexahydropyrrolo[3,2,1-jk][1,4]benzodiazepine
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 28740-91-2 |
|---|---|
| SMILES | C1CN2CCNCC3=CC=CC1=C32 |
| InChIKey | IGSAMATUDUKFPS-UHFFFAOYSA-N |
Product Overview
Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro- (CAS 28740-91-2), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene.
Chemical Property Profile of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro-
Property Insights of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro-. With a topological polar surface area (TPSA) of 15.3 Ų, Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro- 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)benzodiazepine, 1,2,3,4,6,7-hexahydro-?
The CAS number of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro- is 28740-91-2.
What is the molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro-?
The molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro- is C11H14N2.
What is the molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro-?
The molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro- is 174.12 g/mol.
Where can I buy Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro-?
You can request a quote for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro- 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)benzodiazepine, 1,2,3,4,6,7-hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.