AB00684980-01
TL;DR: AB00684980-01 (CAS 852440-69-8) is a chemical compound with molecular formula C21H16ClN5O2 and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: AB00684980-01, F0679-0244, 1-(4-chlorophenyl)-5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, 1-(4-chlorophenyl)-5-(2-(indolin-1-yl)-2-oxoethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one, 1-(4-chlorophenyl)-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C21H16ClN5O2 |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 2.8249 |
| Topological Polar Surface Area | 73.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.09924 |
| Heavy Atoms | 29 |
| Complexity | 1292.673 |
Chemical Identifiers
| CAS Number | 852440-69-8 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=C(C=C5)Cl |
Product Overview
AB00684980-01 (CAS 852440-69-8), with molecular formula C21H16ClN5O2 and molecular weight 405.10 g/mol. IUPAC: 1-(4-chlorophenyl)-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of AB00684980-01
Property Insights of AB00684980-01
The XLogP value of 2.8249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684980-01. The TPSA of 73.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684980-01. Following Lipinski's Rule of Five, AB00684980-01 has 0 hydrogen bond donor(s) and 4 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 AB00684980-01?
The CAS number of AB00684980-01 is 852440-69-8.
What is the molecular formula of AB00684980-01?
The molecular formula of AB00684980-01 is C21H16ClN5O2.
What is the molecular weight of AB00684980-01?
The molecular weight of AB00684980-01 is 405.10 g/mol.
Where can I buy AB00684980-01?
You can request a quote for AB00684980-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684980-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684980-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.