TL;DR: 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl- (CAS 116564-73-9) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methoxy-2-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl-, 11-Methoxy-7-methyl-1,2,3,10,11,11a-hexahydro-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 2,2-dimethyl-1,3-dioxolan-4(S)-ylcarbonyl chloride, 6-methoxy-2-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one, 11-Methoxy-7-methyl-1,2,3,10,11,11a-hexahydro-5H-pyrrolo(2,1-c)(1,4)be nzodiazepin-5-one
| Molecular Formula | C14H18N2O2 |
| Molecular Weight | 246.13683 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.13683 Da |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
| SMILES | CC1=CC2=C(C=C1)NC(C3CCCN3C2=O)OC |
| InChIKey | JDVBSBADDFBZHE-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl-. With a topological polar surface area (TPSA) of 41.6 Ų, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl- is 116564-73-9.
The molecular formula of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl- is C14H18N2O2.
The molecular weight of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl- is 246.13683 g/mol.
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