9W-0288
TL;DR: 9W-0288 (CAS 866145-68-8) is a chemical compound with molecular formula C22H21N5O6 and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-6-oxo-1H-pyrimidine-5-carboxylate
Also Known As: 9W-0288, ethyl 2-{4-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl}-6-oxo-1,6-dihydro-5-pyrimidinecarboxylate, ethyl 2-[4-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-6-oxo-1H-pyrimidine-5-carboxylate, ethyl 2-{4-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl]-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxylate, ethyl2-{4-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl]-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C22H21N5O6 |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 0.96282 |
| Topological Polar Surface Area | 147.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.14917 |
| Heavy Atoms | 33 |
| Complexity | 1347.3987 |
Chemical Identifiers
| CAS Number | 866145-68-8 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(NC1=O)N2C(=O)C(=C(N2)C)CCCN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
9W-0288 (CAS 866145-68-8), with molecular formula C22H21N5O6 and molecular weight 451.15 g/mol. IUPAC: ethyl 2-[4-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-6-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of 9W-0288
Property Insights of 9W-0288
The XLogP value of 0.96282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9W-0288. The TPSA of 147.22 Ų indicates high polarity, suggesting 9W-0288 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9W-0288 has 2 hydrogen bond donor(s) and 7 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 9W-0288?
The CAS number of 9W-0288 is 866145-68-8.
What is the molecular formula of 9W-0288?
The molecular formula of 9W-0288 is C22H21N5O6.
What is the molecular weight of 9W-0288?
The molecular weight of 9W-0288 is 451.15 g/mol.
Where can I buy 9W-0288?
You can request a quote for 9W-0288 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9W-0288?
Yes, KEHONG BIO provides custom synthesis services for 9W-0288 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.