ChemDiv1_022493
TL;DR: ChemDiv1_022493 (CAS 309938-96-3) is a chemical compound with molecular formula C25H18N2O4 and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-17-(3-nitrophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: ChemDiv1_022493, BAS 00801450, BIM-0014951.P001, 1-methyl-17-(3-nitrophenyl)-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<15,19>]non adeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione, 1-methyl-17-(3-nitrophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
| Molecular Formula | C25H18N2O4 |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 4.1655 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.12665 |
| Heavy Atoms | 31 |
| Complexity | 1266.6339 |
Chemical Identifiers
| CAS Number | 309938-96-3 |
|---|---|
| SMILES | CC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=CC=C6)[N+](=O)[O-] |
Product Overview
ChemDiv1_022493 (CAS 309938-96-3), with molecular formula C25H18N2O4 and molecular weight 410.13 g/mol. IUPAC: 1-methyl-17-(3-nitrophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
Chemical Property Profile of ChemDiv1_022493
Property Insights of ChemDiv1_022493
The XLogP value of 4.1655 indicates that ChemDiv1_022493 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022493. Following Lipinski's Rule of Five, ChemDiv1_022493 has 0 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_022493?
The CAS number of ChemDiv1_022493 is 309938-96-3.
What is the molecular formula of ChemDiv1_022493?
The molecular formula of ChemDiv1_022493 is C25H18N2O4.
What is the molecular weight of ChemDiv1_022493?
The molecular weight of ChemDiv1_022493 is 410.13 g/mol.
Where can I buy ChemDiv1_022493?
You can request a quote for ChemDiv1_022493 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022493?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022493 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.