RefChem:267885
TL;DR: RefChem:267885 (CAS 50691-94-6) is a chemical compound with molecular formula C24H18ClN3O and molecular weight 399.11383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: CCK antagonist synthetic 6, J1.609.176F, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-, (S)-, (S)-1,3-Dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-2H-1,4-benzodiazepin-2-one, (3S)-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C24H18ClN3O |
| Molecular Weight | 399.11383 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 57.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.11383 Da |
| Heavy Atoms | 29 |
| Complexity | 632.0 |
| SMILES | C1=CC=C(C=C1)C2=N[C@H](C(=O)NC3=C2C=C(C=C3)Cl)CC4=CNC5=CC=CC=C54 |
| InChIKey | OAAIQFQHSUFGKD-QFIPXVFZSA-N |
Chemical Property Profile of RefChem:267885
Property Insights of RefChem:267885
The XLogP value of 5.0 indicates that RefChem:267885 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.3 Ų, RefChem:267885 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:267885 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:267885?
The CAS number of RefChem:267885 is 50691-94-6.
What is the molecular formula of RefChem:267885?
The molecular formula of RefChem:267885 is C24H18ClN3O.
What is the molecular weight of RefChem:267885?
The molecular weight of RefChem:267885 is 399.11383 g/mol.
Where can I buy RefChem:267885?
You can request a quote for RefChem:267885 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:267885?
Yes, CoreyChem provides custom synthesis services for RefChem:267885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.