![1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one structure](/static/products/571/57117-49-4.png)
1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one
TL;DR: 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one (CAS 57117-49-4) is a chemical compound with molecular formula C19H20N2O and molecular weight 292.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,21-diazapentacyclo[12.7.0.02,10.03,8.015,20]henicosa-1(14),5,15,17,19-pentaen-9-one
Also Known As: 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one, 4,4a,7,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(1H)-one
| Molecular Formula | C19H20N2O |
|---|---|
| Molecular Weight | 292.16 g/mol |
| LogP | 3.5798 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.15756 |
| Heavy Atoms | 22 |
| Complexity | 787.82916 |
Chemical Identifiers
| CAS Number | 57117-49-4 |
|---|---|
| SMILES | C1CC2=C(C3C4CC=CCC4C(=O)N3C1)NC5=CC=CC=C25 |
Product Overview
1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one (CAS 57117-49-4), with molecular formula C19H20N2O and molecular weight 292.16 g/mol. IUPAC: 10,21-diazapentacyclo[12.7.0.02,10.03,8.015,20]henicosa-1(14),5,15,17,19-pentaen-9-one.
Chemical Property Profile of 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one
Property Insights of 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one
The XLogP value of 3.5798 indicates that 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.1 Ų, 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one has 1 hydrogen bond donor(s) and 1 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 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one?
The CAS number of 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one is 57117-49-4.
What is the molecular formula of 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one?
The molecular formula of 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one is C19H20N2O.
What is the molecular weight of 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one?
The molecular weight of 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one is 292.16 g/mol.
Where can I buy 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one?
You can request a quote for 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4,4a,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.