ChemDiv2_006440
TL;DR: ChemDiv2_006440 (CAS 866346-34-1) is a chemical compound with molecular formula C22H21N3O2 and molecular weight 359.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-imino-N-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
Also Known As: ChemDiv2_006440, IDI1_005155, J2.314.540E, 11-imino-N-phenyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide, 4-imino-N-phenyl-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
| Molecular Formula | C22H21N3O2 |
|---|---|
| Molecular Weight | 359.16 g/mol |
| LogP | 3.86337 |
| Topological Polar Surface Area | 69.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.1634 |
| Heavy Atoms | 27 |
| Complexity | 1099.9812 |
Chemical Identifiers
| CAS Number | 866346-34-1 |
|---|---|
| SMILES | C1CC2=C3C(=C4C(=C2)C=C(C(=N)O4)C(=O)NC5=CC=CC=C5)CCCN3C1 |
Product Overview
ChemDiv2_006440 (CAS 866346-34-1), with molecular formula C22H21N3O2 and molecular weight 359.16 g/mol. IUPAC: 4-imino-N-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide.
Chemical Property Profile of ChemDiv2_006440
Property Insights of ChemDiv2_006440
The XLogP value of 3.86337 indicates that ChemDiv2_006440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006440. Following Lipinski's Rule of Five, ChemDiv2_006440 has 2 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 ChemDiv2_006440?
The CAS number of ChemDiv2_006440 is 866346-34-1.
What is the molecular formula of ChemDiv2_006440?
The molecular formula of ChemDiv2_006440 is C22H21N3O2.
What is the molecular weight of ChemDiv2_006440?
The molecular weight of ChemDiv2_006440 is 359.16 g/mol.
Where can I buy ChemDiv2_006440?
You can request a quote for ChemDiv2_006440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006440?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.