Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-
TL;DR: Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro- (CAS 54972-10-0) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
Also Known As: Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-, 1,2,3,4-tetrahydro[1,4]diazepino[3,2,1-hi]indole, 5-23-07-00326 (Beilstein Handbook Reference), 4,5,6,7-Tetrahydropyrrolo(1,2,3-ef)(1,5)benzodiazepine, Pyrrolo[1,2,3-ef]-1,5-benzodiazepine, 1,2,3,4-tetrahydro-
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 54972-10-0 |
|---|---|
| SMILES | C1CNC2=CC=CC3=C2N(C1)C=C3 |
| InChIKey | JTIUNDJPUKNFER-UHFFFAOYSA-N |
Product Overview
Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro- (CAS 54972-10-0), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene.
Chemical Property Profile of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-
Property Insights of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-. With a topological polar surface area (TPSA) of 17.0 Ų, Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro- has 1 hydrogen bond donor(s) and 1 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(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-?
The CAS number of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro- is 54972-10-0.
What is the molecular formula of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-?
The molecular formula of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro- is C11H12N2.
What is the molecular weight of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-?
The molecular weight of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro- is 172.10 g/mol.
Where can I buy Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-?
You can request a quote for Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.