AB00686971-01
TL;DR: AB00686971-01 (CAS 872590-74-4) is a chemical compound with molecular formula C20H15ClN6O2 and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazolo[4,5-d]pyrimidin-7-one
Also Known As: AB00686971-01, F1876-0157, 3-(4-chlorophenyl)-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazolo[4,5-d]pyrimidin-7-one, 3-(4-chlorophenyl)-6-(2-(indolin-1-yl)-2-oxoethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 3-(4-chlorophenyl)-6-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C20H15ClN6O2 |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 2.2199 |
| Topological Polar Surface Area | 85.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.0945 |
| Heavy Atoms | 29 |
| Complexity | 1294.573 |
Chemical Identifiers
| CAS Number | 872590-74-4 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CN3C=NC4=C(C3=O)N=NN4C5=CC=C(C=C5)Cl |
Product Overview
AB00686971-01 (CAS 872590-74-4), with molecular formula C20H15ClN6O2 and molecular weight 406.09 g/mol. IUPAC: 3-(4-chlorophenyl)-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of AB00686971-01
Property Insights of AB00686971-01
The XLogP value of 2.2199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686971-01. The TPSA of 85.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686971-01. Following Lipinski's Rule of Five, AB00686971-01 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 AB00686971-01?
The CAS number of AB00686971-01 is 872590-74-4.
What is the molecular formula of AB00686971-01?
The molecular formula of AB00686971-01 is C20H15ClN6O2.
What is the molecular weight of AB00686971-01?
The molecular weight of AB00686971-01 is 406.09 g/mol.
Where can I buy AB00686971-01?
You can request a quote for AB00686971-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686971-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686971-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.