ChemDiv1_023333
TL;DR: ChemDiv1_023333 (CAS 355401-91-1) is a chemical compound with molecular formula C28H21N3O4 and molecular weight 463.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-(4-phenylmethoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
Also Known As: ChemDiv1_023333, BIM-0001031.P001, 5-[4-(benzyloxy)phenyl]-1-methyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 5-(4-(benzyloxy)phenyl)-1-methyl-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H,5H,11H)-trione, 1-methyl-5-[4-(phenylmethoxy)phenyl]-1,3,5,11-tetrahydroindeno[2,3-e]pyrimidin o[4,5-b]pyridine-2,4,6-trione
| Molecular Formula | C28H21N3O4 |
|---|---|
| Molecular Weight | 463.15 g/mol |
| LogP | 3.8176 |
| Topological Polar Surface Area | 93.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.1532 |
| Heavy Atoms | 35 |
| Complexity | 1629.8055 |
Chemical Identifiers
| CAS Number | 355401-91-1 |
|---|---|
| SMILES | CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OCC6=CC=CC=C6)C(=O)NC1=O |
Product Overview
ChemDiv1_023333 (CAS 355401-91-1), with molecular formula C28H21N3O4 and molecular weight 463.15 g/mol. IUPAC: 7-methyl-2-(4-phenylmethoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione.
Chemical Property Profile of ChemDiv1_023333
Property Insights of ChemDiv1_023333
The XLogP value of 3.8176 indicates that ChemDiv1_023333 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023333. Following Lipinski's Rule of Five, ChemDiv1_023333 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 ChemDiv1_023333?
The CAS number of ChemDiv1_023333 is 355401-91-1.
What is the molecular formula of ChemDiv1_023333?
The molecular formula of ChemDiv1_023333 is C28H21N3O4.
What is the molecular weight of ChemDiv1_023333?
The molecular weight of ChemDiv1_023333 is 463.15 g/mol.
Where can I buy ChemDiv1_023333?
You can request a quote for ChemDiv1_023333 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023333?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023333 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.