ChemDiv3_009731
TL;DR: ChemDiv3_009731 (CAS 866346-56-7) is a chemical compound with molecular formula C23H20N4O2 and molecular weight 384.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-cyanophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
Also Known As: ChemDiv3_009731, IDI1_027641, N-(4-cyanophenyl)-11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide, N-(4-cyanophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide, N-(4-cyanophenyl)-11-imino-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide
| Molecular Formula | C23H20N4O2 |
|---|---|
| Molecular Weight | 384.16 g/mol |
| LogP | 3.73505 |
| Topological Polar Surface Area | 93.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.15863 |
| Heavy Atoms | 29 |
| Complexity | 1232.9431 |
Chemical Identifiers
| CAS Number | 866346-56-7 |
|---|---|
| SMILES | C1CC2=C3C(=C4C(=C2)C=C(C(=N)O4)C(=O)NC5=CC=C(C=C5)C#N)CCCN3C1 |
Product Overview
ChemDiv3_009731 (CAS 866346-56-7), with molecular formula C23H20N4O2 and molecular weight 384.16 g/mol. IUPAC: N-(4-cyanophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide.
Chemical Property Profile of ChemDiv3_009731
Property Insights of ChemDiv3_009731
The XLogP value of 3.73505 indicates that ChemDiv3_009731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_009731. Following Lipinski's Rule of Five, ChemDiv3_009731 has 2 hydrogen bond donor(s) and 5 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 ChemDiv3_009731?
The CAS number of ChemDiv3_009731 is 866346-56-7.
What is the molecular formula of ChemDiv3_009731?
The molecular formula of ChemDiv3_009731 is C23H20N4O2.
What is the molecular weight of ChemDiv3_009731?
The molecular weight of ChemDiv3_009731 is 384.16 g/mol.
Where can I buy ChemDiv3_009731?
You can request a quote for ChemDiv3_009731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009731?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.