1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
TL;DR: 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one (CAS 116564-72-8) 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-1-methyl-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-11-methoxy-6-methyl-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-11-methoxy-6-methyl-, 6-methoxy-1-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one, 11-Methoxy-6-methyl-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
Technical Specifications
| 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=C2C(=CC=C1)NC(C3CCCN3C2=O)OC |
| InChIKey | UXNPROXHFNBLDJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
Property Insights of 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one. With a topological polar surface area (TPSA) of 41.6 Ų, 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one 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 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
The CAS number of 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one is 116564-72-8.
What is the molecular formula of 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
The molecular formula of 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one is C14H18N2O2.
What is the molecular weight of 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
The molecular weight of 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one is 246.13683 g/mol.
Where can I buy 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
You can request a quote for 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
Yes, CoreyChem provides custom synthesis services for 1,2,3,10,11,11a-Hexahydro-11-methoxy-6-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.