ChemDiv1_022427
TL;DR: ChemDiv1_022427 (CAS 397291-21-3) is a chemical compound with molecular formula C21H22N4O2 and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
Also Known As: ChemDiv1_022427, AB00709609-01, 2-methoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
| Molecular Formula | C21H22N4O2 |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 3.9324 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.1743 |
| Heavy Atoms | 27 |
| Complexity | 947.0704 |
Chemical Identifiers
| CAS Number | 397291-21-3 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NN=C4N3CCCCC4 |
Product Overview
ChemDiv1_022427 (CAS 397291-21-3), with molecular formula C21H22N4O2 and molecular weight 362.17 g/mol. IUPAC: 2-methoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide.
Chemical Property Profile of ChemDiv1_022427
Property Insights of ChemDiv1_022427
The XLogP value of 3.9324 indicates that ChemDiv1_022427 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022427. Following Lipinski's Rule of Five, ChemDiv1_022427 has 1 hydrogen bond donor(s) and 4 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 ChemDiv1_022427?
The CAS number of ChemDiv1_022427 is 397291-21-3.
What is the molecular formula of ChemDiv1_022427?
The molecular formula of ChemDiv1_022427 is C21H22N4O2.
What is the molecular weight of ChemDiv1_022427?
The molecular weight of ChemDiv1_022427 is 362.17 g/mol.
Where can I buy ChemDiv1_022427?
You can request a quote for ChemDiv1_022427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022427?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.