1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
TL;DR: 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one (CAS 116564-76-2) is a chemical compound with molecular formula C15H20N2O4 and molecular weight 292.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-trimethoxy-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-7,8,11-trimethoxy-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-7,8,11-trimethoxy-, 2,3,6-trimethoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one, 7,8,11-Trimethoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, RefChem:305799
| Molecular Formula | C15H20N2O4 |
|---|---|
| Molecular Weight | 292.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.1423 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 116564-76-2 |
|---|---|
| SMILES | COC1C2CCCN2C(=O)C3=CC(=C(C=C3N1)OC)OC |
| InChIKey | SUOOJJKNBIQLNG-UHFFFAOYSA-N |
Product Overview
1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one (CAS 116564-76-2), with molecular formula C15H20N2O4 and molecular weight 292.14 g/mol. IUPAC: 2,3,6-trimethoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
Property Insights of 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one. Following Lipinski's Rule of Five, 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
The CAS number of 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one is 116564-76-2.
What is the molecular formula of 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
The molecular formula of 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one is C15H20N2O4.
What is the molecular weight of 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
The molecular weight of 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one is 292.14 g/mol.
Where can I buy 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
You can request a quote for 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,10,11,11a-Hexahydro-7,8,11-trimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.