Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl-
TL;DR: Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl- (CAS 7574-71-2) is a chemical compound with molecular formula C19H19NO and molecular weight 277.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)ethanone
Also Known As: 2-Acetyl-1,2,3,7,8,12b-hexahydrobenzo(6,7)cyclohept(1,2,3-de)isoquinoline, Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl-, 1-(3,7,8,12b-Tetrahydrobenzo[6,7]cyclohepta[1,2,3-de]isoquinolin-2(1H)-yl)ethan-1-one, BENZO(6,7)CYCLOHEPT(1,2,3-DE)ISOQUINOLINE,1,2,3,7,8,12B-HEXAHYDRO-2-ACETYL-, BRN 1351164
| Molecular Formula | C19H19NO |
|---|---|
| Molecular Weight | 277.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.14667 |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 7574-71-2 |
|---|---|
| SMILES | CC(=O)N1CC2C3=CC=CC=C3CCC4=C2C(=CC=C4)C1 |
| InChIKey | ASMHUZPYLFZHEZ-UHFFFAOYSA-N |
Product Overview
Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl- (CAS 7574-71-2), with molecular formula C19H19NO and molecular weight 277.15 g/mol. IUPAC: 1-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)ethanone.
Chemical Property Profile of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl-
Property Insights of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl-
The XLogP value of 3.0 indicates that Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl- has 0 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 Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl-?
The CAS number of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl- is 7574-71-2.
What is the molecular formula of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl-?
The molecular formula of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl- is C19H19NO.
What is the molecular weight of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl-?
The molecular weight of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl- is 277.15 g/mol.
Where can I buy Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl-?
You can request a quote for Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-acetyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.