ChemDiv2_005587
TL;DR: ChemDiv2_005587 (CAS 896633-69-5) is a chemical compound with molecular formula C23H25N3O5 and molecular weight 423.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-oxo-N-(3,4,5-trimethoxyphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
Also Known As: ChemDiv2_005587, EiM08-17959, IDI1_004302, 12-oxo-N-(3,4,5-trimethoxyphenyl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide, 12-OXO-N-(3,4,5-TRIMETHOXYPHENYL)-6H,7H,8H,9H,10H,12H-AZEPINO[2,1-B]QUINAZOLINE-3-CARBOXAMIDE
| Molecular Formula | C23H25N3O5 |
|---|---|
| Molecular Weight | 423.18 g/mol |
| LogP | 3.401 |
| Topological Polar Surface Area | 91.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1794 |
| Heavy Atoms | 31 |
| Complexity | 1176.7667 |
Chemical Identifiers
| CAS Number | 896633-69-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3 |
Product Overview
ChemDiv2_005587 (CAS 896633-69-5), with molecular formula C23H25N3O5 and molecular weight 423.18 g/mol. IUPAC: 12-oxo-N-(3,4,5-trimethoxyphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide.
Chemical Property Profile of ChemDiv2_005587
Property Insights of ChemDiv2_005587
The XLogP value of 3.401 indicates that ChemDiv2_005587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005587. Following Lipinski's Rule of Five, ChemDiv2_005587 has 1 hydrogen bond donor(s) and 6 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_005587?
The CAS number of ChemDiv2_005587 is 896633-69-5.
What is the molecular formula of ChemDiv2_005587?
The molecular formula of ChemDiv2_005587 is C23H25N3O5.
What is the molecular weight of ChemDiv2_005587?
The molecular weight of ChemDiv2_005587 is 423.18 g/mol.
Where can I buy ChemDiv2_005587?
You can request a quote for ChemDiv2_005587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005587?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.