AB00676643-01
TL;DR: AB00676643-01 (CAS 888422-36-4) is a chemical compound with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]triazolo[4,5-d]pyrimidin-7-one
Also Known As: AB00676643-01, F1876-0935, 3-(3,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 3-(3,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]triazolo[4,5-d]pyrimidin-7-one, 3-(3,4-dimethylphenyl)-6-(2-(4-methoxyphenyl)-2-oxoethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
| Molecular Formula | C21H19N5O3 |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 2.48554 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.1488 |
| Heavy Atoms | 29 |
| Complexity | 1271.9614 |
Chemical Identifiers
| CAS Number | 888422-36-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)OC)N=N2)C |
Product Overview
AB00676643-01 (CAS 888422-36-4), with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol. IUPAC: 3-(3,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of AB00676643-01
Property Insights of AB00676643-01
The XLogP value of 2.48554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00676643-01. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00676643-01. Following Lipinski's Rule of Five, AB00676643-01 has 0 hydrogen bond donor(s) and 6 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 AB00676643-01?
The CAS number of AB00676643-01 is 888422-36-4.
What is the molecular formula of AB00676643-01?
The molecular formula of AB00676643-01 is C21H19N5O3.
What is the molecular weight of AB00676643-01?
The molecular weight of AB00676643-01 is 389.15 g/mol.
Where can I buy AB00676643-01?
You can request a quote for AB00676643-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676643-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676643-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.