ChemDiv2_005543
TL;DR: ChemDiv2_005543 (CAS 896633-64-0) is a chemical compound with molecular formula C22H27N3O2 and molecular weight 365.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexen-1-yl)ethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
Also Known As: ChemDiv2_005543, IDI1_004258, N-(2-(cyclohex-1-en-1-yl)ethyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide, N-[2-(cyclohex-1-en-1-yl)ethyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide, N-[2-(cyclohexen-1-yl)ethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
| Molecular Formula | C22H27N3O2 |
|---|---|
| Molecular Weight | 365.21 g/mol |
| LogP | 3.7432 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.21033 |
| Heavy Atoms | 27 |
| Complexity | 942.4588 |
Chemical Identifiers
| CAS Number | 896633-64-0 |
|---|---|
| SMILES | C1CCC2=NC3=C(C=CC(=C3)C(=O)NCCC4=CCCCC4)C(=O)N2CC1 |
Product Overview
ChemDiv2_005543 (CAS 896633-64-0), with molecular formula C22H27N3O2 and molecular weight 365.21 g/mol. IUPAC: N-[2-(cyclohexen-1-yl)ethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide.
Chemical Property Profile of ChemDiv2_005543
Property Insights of ChemDiv2_005543
The XLogP value of 3.7432 indicates that ChemDiv2_005543 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005543. Following Lipinski's Rule of Five, ChemDiv2_005543 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
Frequently Asked Questions
What is the CAS number of ChemDiv2_005543?
The CAS number of ChemDiv2_005543 is 896633-64-0.
What is the molecular formula of ChemDiv2_005543?
The molecular formula of ChemDiv2_005543 is C22H27N3O2.
What is the molecular weight of ChemDiv2_005543?
The molecular weight of ChemDiv2_005543 is 365.21 g/mol.
Where can I buy ChemDiv2_005543?
You can request a quote for ChemDiv2_005543 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005543?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.