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5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione
TL;DR: 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione (CAS 76447-29-5) is a chemical compound with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Also Known As: 5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione, 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione, pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione, 10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione, 5H-pyrrolo [2,1-c] [1,4] benzodiazepin-5,11 -(10H)-dione
| Molecular Formula | C12H8N2O2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.05858 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 76447-29-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N3C=CC=C3C(=O)N2 |
| InChIKey | VUMOEZLRLXJCIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione (CAS 76447-29-5), with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol. IUPAC: 5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione.
Chemical Property Profile of 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione
Property Insights of 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione. With a topological polar surface area (TPSA) of 51.1 Ų, 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione 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 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione?
The CAS number of 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione is 76447-29-5.
What is the molecular formula of 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione?
The molecular formula of 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione is C12H8N2O2.
What is the molecular weight of 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione?
The molecular weight of 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione is 212.06 g/mol.
Where can I buy 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione?
You can request a quote for 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.