Cycloanthranilylproline
TL;DR: Cycloanthranilylproline (CAS 24919-40-2) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Also Known As: PBD-5,11-dione, Cycloanthranilylproline, 2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11ah)-dione, BAS 09858501, 2,3-Dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11(10H,11aH)-dione
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 24919-40-2 |
|---|---|
| SMILES | C1CC2C(=O)NC3=CC=CC=C3C(=O)N2C1 |
| InChIKey | MXBNEEHQIDLPLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cycloanthranilylproline (CAS 24919-40-2), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione.
Chemical Property Profile of Cycloanthranilylproline
Property Insights of Cycloanthranilylproline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloanthranilylproline. With a topological polar surface area (TPSA) of 49.4 Ų, Cycloanthranilylproline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloanthranilylproline 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 Cycloanthranilylproline?
The CAS number of Cycloanthranilylproline is 24919-40-2.
What is the molecular formula of Cycloanthranilylproline?
The molecular formula of Cycloanthranilylproline is C12H12N2O2.
What is the molecular weight of Cycloanthranilylproline?
The molecular weight of Cycloanthranilylproline is 216.09 g/mol.
Where can I buy Cycloanthranilylproline?
You can request a quote for Cycloanthranilylproline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloanthranilylproline?
Yes, KEHONG BIO provides custom synthesis services for Cycloanthranilylproline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.