ChemDiv1_021471
TL;DR: ChemDiv1_021471 (CAS 314039-52-6) is a chemical compound with molecular formula C26H23N3O4 and molecular weight 441.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,7-dimethyl-2-(4-methylphenyl)-4,6-dioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaen-17-yl] propanoate
Also Known As: ChemDiv1_021471, 1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl propanoate, 1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl propionate, 1,3-dimethyl-2,4-dioxo-5-(p-tolyl)-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl propionate, Propionic acid 1,3-dimethyl-2,4-dioxo-5-p-tolyl-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl ester
| Molecular Formula | C26H23N3O4 |
|---|---|
| Molecular Weight | 441.17 g/mol |
| LogP | 3.33662 |
| Topological Polar Surface Area | 82.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.16885 |
| Heavy Atoms | 33 |
| Complexity | 1503.9672 |
Chemical Identifiers
| CAS Number | 314039-52-6 |
|---|---|
| SMILES | CCC(=O)OC1=C2C(C3=C(N=C2C4=CC=CC=C41)N(C(=O)N(C3=O)C)C)C5=CC=C(C=C5)C |
Product Overview
ChemDiv1_021471 (CAS 314039-52-6), with molecular formula C26H23N3O4 and molecular weight 441.17 g/mol. IUPAC: [5,7-dimethyl-2-(4-methylphenyl)-4,6-dioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaen-17-yl] propanoate.
Chemical Property Profile of ChemDiv1_021471
Property Insights of ChemDiv1_021471
The XLogP value of 3.33662 indicates that ChemDiv1_021471 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021471. Following Lipinski's Rule of Five, ChemDiv1_021471 has 0 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_021471?
The CAS number of ChemDiv1_021471 is 314039-52-6.
What is the molecular formula of ChemDiv1_021471?
The molecular formula of ChemDiv1_021471 is C26H23N3O4.
What is the molecular weight of ChemDiv1_021471?
The molecular weight of ChemDiv1_021471 is 441.17 g/mol.
Where can I buy ChemDiv1_021471?
You can request a quote for ChemDiv1_021471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021471?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.