7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
TL;DR: 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one (CAS 4425-23-4) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
Also Known As: RLX cpd, Deoxydihomo-'c' vasicinone, THA-Q, 7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one, B-allyl-9-borabicyclononane
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 4425-23-4 |
|---|---|
| SMILES | C1CCC2=NC3=CC=CC=C3C(=O)N2CC1 |
| InChIKey | HTLIIBRHXAULMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one (CAS 4425-23-4), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: 7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.
Chemical Property Profile of 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
Property Insights of 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one. With a topological polar surface area (TPSA) of 32.7 Ų, 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one has 0 hydrogen bond donor(s) and 2 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 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one?
The CAS number of 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one is 4425-23-4.
What is the molecular formula of 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one?
The molecular formula of 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one is C13H14N2O.
What is the molecular weight of 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one?
The molecular weight of 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one is 214.11 g/mol.
Where can I buy 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one?
You can request a quote for 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.