RefChem:305802
TL;DR: RefChem:305802 (CAS 116564-97-7) is a chemical compound with molecular formula C20H20N2O3 and molecular weight 336.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR)-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,11a-tetrahydro-7-methoxy-8-(phenylmethoxy)-,(R)-, (11aR)-8-(Benzyloxy)-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, (6aR)-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one, (R)-8-(benzyloxy)-7-methoxy-2,3-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5(11aH)-one, BRN 3562593
Technical Specifications
| Molecular Formula | C20H20N2O3 |
| Molecular Weight | 336.1474 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.1474 Da |
| Heavy Atoms | 25 |
| Complexity | 503.0 |
| SMILES | COC1=C(C=C2C(=C1)C(=O)N3CCC[C@@H]3C=N2)OCC4=CC=CC=C4 |
| InChIKey | PXXBSLZVZRNTAD-OAHLLOKOSA-N |
Chemical Property Profile of RefChem:305802
Property Insights of RefChem:305802
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305802. With a topological polar surface area (TPSA) of 51.1 Ų, RefChem:305802 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305802 has 0 hydrogen bond donor(s) and 4 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:305802?
The CAS number of RefChem:305802 is 116564-97-7.
What is the molecular formula of RefChem:305802?
The molecular formula of RefChem:305802 is C20H20N2O3.
What is the molecular weight of RefChem:305802?
The molecular weight of RefChem:305802 is 336.1474 g/mol.
Where can I buy RefChem:305802?
You can request a quote for RefChem:305802 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:305802?
Yes, CoreyChem provides custom synthesis services for RefChem:305802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.