ChemDiv2_003998
TL;DR: ChemDiv2_003998 (CAS 433261-38-2) is a chemical compound with molecular formula C23H19N3O4 and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methoxyphenyl)-5,7-dimethyl-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: ChemDiv2_003998, IDI1_002713, 5-(3-methoxyphenyl)-1,3-dimethyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 5-(3-methoxyphenyl)-1,3-dimethyl-1,3,5,11-tetrahydroindeno[2,3-e]pyrimidino[4, 5-b]pyridine-2,4,6-trione, 5-(3-methoxyphenyl)-1,3-dimethyl-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H,5H,11H)-trione
| Molecular Formula | C23H19N3O4 |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 2.2576 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.13754 |
| Heavy Atoms | 30 |
| Complexity | 1394.2876 |
Chemical Identifiers
| CAS Number | 433261-38-2 |
|---|---|
| SMILES | CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC(=CC=C5)OC)C(=O)N(C1=O)C |
Product Overview
ChemDiv2_003998 (CAS 433261-38-2), with molecular formula C23H19N3O4 and molecular weight 401.14 g/mol. IUPAC: 2-(3-methoxyphenyl)-5,7-dimethyl-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 ChemDiv2_003998
Property Insights of ChemDiv2_003998
The XLogP value of 2.2576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_003998. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003998. Following Lipinski's Rule of Five, ChemDiv2_003998 has 1 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_003998?
The CAS number of ChemDiv2_003998 is 433261-38-2.
What is the molecular formula of ChemDiv2_003998?
The molecular formula of ChemDiv2_003998 is C23H19N3O4.
What is the molecular weight of ChemDiv2_003998?
The molecular weight of ChemDiv2_003998 is 401.14 g/mol.
Where can I buy ChemDiv2_003998?
You can request a quote for ChemDiv2_003998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003998?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.