XB1K237ZDH
TL;DR: XB1K237ZDH (CAS 220752-06-7) is a chemical compound with molecular formula C22H17N3O7 and molecular weight 435.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-(4-hydroxy-3-methoxyphenyl)-3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-5-yl]-2-oxoacetate
Also Known As: 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 2,3-dihydro-4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-a,3-dioxo-2-phenyl-, methyl ester, Methyl [6-(4-hydroxy-3-methoxyphenyl)-3,4-dioxo-2-phenyl-2,3,4,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl](oxo)acetate, 1H-PYRAZOLO(3,4-B)PYRIDINE-5-ACETIC ACID, 2,3-DIHYDRO-4-HYDROXY-6-(4-HYDROXY-3-METHOXYPHENYL)-.ALPHA.,3-DIOXO-2-PHENYL-, METHYL ESTER, 1H-PYRAZOLO(3,4-B)PYRIDINE-5-ACETIC ACID, 2,3-DIHYDRO-4-HYDROXY-6-(4-HYDROXY-3-METHOXYPHENYL)-ALPHA,3-DIOXO-2-PHENYL-, METHYL ESTER, 1H-Pyrazolo[3,4-b]pyridine-5-acetic acid, 2,3-dihydro-4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-a,3-dioxo-2-phenyl-, methyl ester
| Molecular Formula | C22H17N3O7 |
|---|---|
| Molecular Weight | 435.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.10666 |
| Heavy Atoms | 32 |
| Complexity | 903.0 |
Chemical Identifiers
| CAS Number | 220752-06-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(N2)NN(C3=O)C4=CC=CC=C4)C(=O)C(=O)OC)O |
| InChIKey | HFUBSVFTVKKLFA-UHFFFAOYSA-N |
Product Overview
XB1K237ZDH (CAS 220752-06-7), with molecular formula C22H17N3O7 and molecular weight 435.11 g/mol. IUPAC: methyl 2-[6-(4-hydroxy-3-methoxyphenyl)-3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-5-yl]-2-oxoacetate.
Chemical Property Profile of XB1K237ZDH
Property Insights of XB1K237ZDH
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for XB1K237ZDH. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for XB1K237ZDH. Following Lipinski's Rule of Five, XB1K237ZDH has 3 hydrogen bond donor(s) and 9 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 XB1K237ZDH?
The CAS number of XB1K237ZDH is 220752-06-7.
What is the molecular formula of XB1K237ZDH?
The molecular formula of XB1K237ZDH is C22H17N3O7.
What is the molecular weight of XB1K237ZDH?
The molecular weight of XB1K237ZDH is 435.11 g/mol.
Where can I buy XB1K237ZDH?
You can request a quote for XB1K237ZDH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for XB1K237ZDH?
Yes, KEHONG BIO provides custom synthesis services for XB1K237ZDH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.