Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro-
TL;DR: Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro- (CAS 28740-83-2) is a chemical compound with molecular formula C11H13ClN2 and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1,9-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene
Also Known As: 5-23-07-00029 (Beilstein Handbook Reference), Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro-, 1,2,4,5,6,7-Hexahydro-9-chloropyrrolo(1,2,3-ef)(1,5)benzodiazepine, 9-Chloro-1,2,3,4,6,7-hexahydropyrrolo[1,2,3-ef]-1,5-benzodiazepine, 9-chloro-1,2,3,4,6,7-hexahydro-[1,4]diazepino[3,2,1-hi]indole
| Molecular Formula | C11H13ClN2 |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.07672 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 28740-83-2 |
|---|---|
| SMILES | C1CNC2=CC(=CC3=C2N(C1)CC3)Cl |
| InChIKey | QJFRLJXEDIXDPR-UHFFFAOYSA-N |
Product Overview
Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro- (CAS 28740-83-2), with molecular formula C11H13ClN2 and molecular weight 208.08 g/mol. IUPAC: 6-chloro-1,9-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene.
Chemical Property Profile of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro-
Property Insights of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro-. With a topological polar surface area (TPSA) of 15.3 Ų, Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro- 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(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro-?
The CAS number of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro- is 28740-83-2.
What is the molecular formula of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro-?
The molecular formula of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro- is C11H13ClN2.
What is the molecular weight of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro-?
The molecular weight of Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro- is 208.08 g/mol.
Where can I buy Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro-?
You can request a quote for Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro- 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, 1,2,4,5,6,7-hexahydro-9-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-9-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.