ChemDiv1_008421
TL;DR: ChemDiv1_008421 (CAS 42916-26-7) is a chemical compound with molecular formula C26H20N2O4 and molecular weight 424.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,12-diphenyl-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
Also Known As: ChemDiv1_008421, DivK1c_003061, CDS1_002021, BAS 01077477, 2,6-diphenyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone
| Molecular Formula | C26H20N2O4 |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.1423 |
| Heavy Atoms | 32 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 42916-26-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)C7=CC=CC=C7 |
| InChIKey | SFQRCMQHKXJWKY-UHFFFAOYSA-N |
Product Overview
ChemDiv1_008421 (CAS 42916-26-7), with molecular formula C26H20N2O4 and molecular weight 424.14 g/mol. IUPAC: 5,12-diphenyl-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone.
Chemical Property Profile of ChemDiv1_008421
Property Insights of ChemDiv1_008421
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_008421. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008421. Following Lipinski's Rule of Five, ChemDiv1_008421 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_008421?
The CAS number of ChemDiv1_008421 is 42916-26-7.
What is the molecular formula of ChemDiv1_008421?
The molecular formula of ChemDiv1_008421 is C26H20N2O4.
What is the molecular weight of ChemDiv1_008421?
The molecular weight of ChemDiv1_008421 is 424.14 g/mol.
Where can I buy ChemDiv1_008421?
You can request a quote for ChemDiv1_008421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008421?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.