RefChem:305800
TL;DR: RefChem:305800 (CAS 116564-75-1) is a chemical compound with molecular formula C13H15ClN2O2 and molecular weight 266.0822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-6-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: 1,2,3,10,11,11a-Hexahydro-8-chloro-11-methoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-8-chloro-11-methoxy-, 3-chloro-6-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one, 8-Chloro-11-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
Technical Specifications
| Molecular Formula | C13H15ClN2O2 |
| Molecular Weight | 266.0822 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.0822 Da |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
| SMILES | COC1C2CCCN2C(=O)C3=C(N1)C=C(C=C3)Cl |
| InChIKey | RGPFLLYVFOXPJK-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:305800
Property Insights of RefChem:305800
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305800. With a topological polar surface area (TPSA) of 41.6 Ų, RefChem:305800 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305800 has 1 hydrogen bond donor(s) and 3 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:305800?
The CAS number of RefChem:305800 is 116564-75-1.
What is the molecular formula of RefChem:305800?
The molecular formula of RefChem:305800 is C13H15ClN2O2.
What is the molecular weight of RefChem:305800?
The molecular weight of RefChem:305800 is 266.0822 g/mol.
Where can I buy RefChem:305800?
You can request a quote for RefChem:305800 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:305800?
Yes, CoreyChem provides custom synthesis services for RefChem:305800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.