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5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl- structure
Fine Chemical

5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl-

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

CAS Number
116564-73-9
Molecular Formula
C14H18N2O2
Molecular Weight
246.13683 g/mol
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Technical Specifications

Molecular FormulaC14H18N2O2
Molecular Weight246.13683 g/mol
XLogP2.1
Topological Polar Surface Area (TPSA)41.6 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors3
Rotatable Bonds1
Exact Mass246.13683 Da
Heavy Atoms18
Complexity334.0
SMILESCC1=CC2=C(C=C1)NC(C3CCCN3C2=O)OC
InChIKeyJDVBSBADDFBZHE-UHFFFAOYSA-N

Chemical Property Profile of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl-

XLogP
2.1
TPSA (Topological Polar Surface Area)
41.6
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
Rotatable Bonds
1
Heavy Atoms
18
Complexity
334.0
Exact Mass
246.13683
Monoisotopic Mass
246.13683
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl-

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.

Frequently Asked Questions

What is 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-?

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.

What is 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-?

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.

What is 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-?

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.

Where can I buy 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl-?

You can request a quote for 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl-?

Yes, CoreyChem provides custom synthesis services for 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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