ChemDiv1_022658
TL;DR: ChemDiv1_022658 (CAS 374087-66-8) is a chemical compound with molecular formula C29H20FN3O5 and molecular weight 509.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(5,7-dimethyl-4,6,17-trioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaen-2-yl)phenyl] 2-fluorobenzoate
Also Known As: ChemDiv1_022658, DivK1c_003922, CDS1_002882, 3-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 2-fluorobenzoate, 3-(1,3-dimethyl-2,4,6-trioxo-1,3,5,11-tetrahydroindeno[2,3-e]pyrimidino[4,5-b] pyridin-5-yl)phenyl 2-fluorobenzoate
| Molecular Formula | C29H20FN3O5 |
|---|---|
| Molecular Weight | 509.14 g/mol |
| LogP | 3.6073 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 509.1387 |
| Heavy Atoms | 38 |
| Complexity | 1849.9065 |
Chemical Identifiers
| CAS Number | 374087-66-8 |
|---|---|
| SMILES | CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC(=CC=C5)OC(=O)C6=CC=CC=C6F)C(=O)N(C1=O)C |
Product Overview
ChemDiv1_022658 (CAS 374087-66-8), with molecular formula C29H20FN3O5 and molecular weight 509.14 g/mol. IUPAC: [3-(5,7-dimethyl-4,6,17-trioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaen-2-yl)phenyl] 2-fluorobenzoate.
Chemical Property Profile of ChemDiv1_022658
Property Insights of ChemDiv1_022658
The XLogP value of 3.6073 indicates that ChemDiv1_022658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022658. Following Lipinski's Rule of Five, ChemDiv1_022658 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022658?
The CAS number of ChemDiv1_022658 is 374087-66-8.
What is the molecular formula of ChemDiv1_022658?
The molecular formula of ChemDiv1_022658 is C29H20FN3O5.
What is the molecular weight of ChemDiv1_022658?
The molecular weight of ChemDiv1_022658 is 509.14 g/mol.
Where can I buy ChemDiv1_022658?
You can request a quote for ChemDiv1_022658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022658?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.