4H-Pyrrolo(2,1-b)(1,3)benzodiazepine
TL;DR: 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine (CAS 76963-34-3) is a chemical compound with molecular formula C12H10N2 and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11H-pyrrolo[2,1-b][1,3]benzodiazepine
Also Known As: 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine, 11H-pyrrolo[2,1-b][1,3]benzodiazepine, 4H-Pyrrolo[2,1-b][1,3]benzodiazepine
| Molecular Formula | C12H10N2 |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 17.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.0844 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 76963-34-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN3C=CC=C3N2 |
| InChIKey | JCQSKKJXHPBMHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-Pyrrolo(2,1-b)(1,3)benzodiazepine (CAS 76963-34-3), with molecular formula C12H10N2 and molecular weight 182.08 g/mol. IUPAC: 11H-pyrrolo[2,1-b][1,3]benzodiazepine.
Chemical Property Profile of 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine
Property Insights of 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine
The XLogP value of 3.6 indicates that 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.0 Ų, 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine 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 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine?
The CAS number of 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine is 76963-34-3.
What is the molecular formula of 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine?
The molecular formula of 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine is C12H10N2.
What is the molecular weight of 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine?
The molecular weight of 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine is 182.08 g/mol.
Where can I buy 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine?
You can request a quote for 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyrrolo(2,1-b)(1,3)benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.