ChemDiv2_001717
TL;DR: ChemDiv2_001717 (CAS 354991-75-6) is a chemical compound with molecular formula C25H21N3O4 and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,7-dimethyl-4,6-dioxo-2-phenyl-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: ChemDiv2_001717, AJ-292/13095023, 1,3-dimethyl-2,4-dioxo-5-phenyl-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-phenyl-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl propanoate, 1,3-dimethyl-2,4-dioxo-5-phenyl-1,3,5-trihydroindeno[2,1-e]pyrimidino[4,5-b]py ridin-6-yl propanoate
| Molecular Formula | C25H21N3O4 |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.1532 |
| Heavy Atoms | 32 |
| Complexity | 956.0 |
Chemical Identifiers
| CAS Number | 354991-75-6 |
|---|---|
| SMILES | CCC(=O)OC1=C2C(C3=C(N=C2C4=CC=CC=C41)N(C(=O)N(C3=O)C)C)C5=CC=CC=C5 |
| InChIKey | TXUYAXJBKWIFHD-UHFFFAOYSA-N |
Product Overview
ChemDiv2_001717 (CAS 354991-75-6), with molecular formula C25H21N3O4 and molecular weight 427.15 g/mol. IUPAC: (5,7-dimethyl-4,6-dioxo-2-phenyl-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 ChemDiv2_001717
Property Insights of ChemDiv2_001717
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_001717. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001717. Following Lipinski's Rule of Five, ChemDiv2_001717 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 ChemDiv2_001717?
The CAS number of ChemDiv2_001717 is 354991-75-6.
What is the molecular formula of ChemDiv2_001717?
The molecular formula of ChemDiv2_001717 is C25H21N3O4.
What is the molecular weight of ChemDiv2_001717?
The molecular weight of ChemDiv2_001717 is 427.15 g/mol.
Where can I buy ChemDiv2_001717?
You can request a quote for ChemDiv2_001717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001717?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.