ChemDiv1_005099
TL;DR: ChemDiv1_005099 (CAS 22499-39-4) is a chemical compound with molecular formula C31H26N2O4 and molecular weight 490.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]methyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: ChemDiv1_005099, BAS 00389543, UPCMLD0ENAT0400-3141:001, AE-848/32011041, 4-{4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzyl]phenyl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
| Molecular Formula | C31H26N2O4 |
|---|---|
| Molecular Weight | 490.19 g/mol |
| LogP | 3.9004 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.18927 |
| Heavy Atoms | 37 |
| Complexity | 1269.0563 |
Chemical Identifiers
| CAS Number | 22499-39-4 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C8CC(C7C6=O)C=C8 |
Product Overview
ChemDiv1_005099 (CAS 22499-39-4), with molecular formula C31H26N2O4 and molecular weight 490.19 g/mol. IUPAC: 4-[4-[[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]methyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of ChemDiv1_005099
Property Insights of ChemDiv1_005099
The XLogP value of 3.9004 indicates that ChemDiv1_005099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005099. Following Lipinski's Rule of Five, ChemDiv1_005099 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_005099?
The CAS number of ChemDiv1_005099 is 22499-39-4.
What is the molecular formula of ChemDiv1_005099?
The molecular formula of ChemDiv1_005099 is C31H26N2O4.
What is the molecular weight of ChemDiv1_005099?
The molecular weight of ChemDiv1_005099 is 490.19 g/mol.
Where can I buy ChemDiv1_005099?
You can request a quote for ChemDiv1_005099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005099?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.