Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy-
TL;DR: Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy- (CAS 28740-84-3) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-ethoxy-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraene
Also Known As: 5-23-12-00042 (Beilstein Handbook Reference), Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy-, 3,4,6,7-Tetrahydro-1-ethoxypyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1-Ethoxy-3,4,6,7-tetrahydro[1,4]diazepino[6,7,1-hi]indole, BRN 0749316
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 28740-84-3 |
|---|---|
| SMILES | CCOC1=NCCN2CCC3=C2C1=CC=C3 |
| InChIKey | NMENLSKFSMWICU-UHFFFAOYSA-N |
Product Overview
Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy- (CAS 28740-84-3), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 9-ethoxy-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraene.
Chemical Property Profile of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy-
Property Insights of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy-. With a topological polar surface area (TPSA) of 24.8 Ų, Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy- 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 Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy-?
The CAS number of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy- is 28740-84-3.
What is the molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy-?
The molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy- is C13H16N2O.
What is the molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy-?
The molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy- is 216.13 g/mol.
Where can I buy Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy-?
You can request a quote for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy- 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, 3,4,6,7-tetrahydro-1-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4,6,7-tetrahydro-1-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.