AB00166982-02
TL;DR: AB00166982-02 (CAS 688779-36-4) is a chemical compound with molecular formula C17H19N5OS and molecular weight 341.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: AB00166982-02, A3697/0156850, N-(3,4-dimethylphenyl)-2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide, 2-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide, N-(3,4-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C17H19N5OS |
|---|---|
| Molecular Weight | 341.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.13104 |
| Heavy Atoms | 24 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 688779-36-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN3C(=CC(=NC3=N2)C)C)C |
| InChIKey | AVDPWJYSBQCIOO-UHFFFAOYSA-N |
Product Overview
AB00166982-02 (CAS 688779-36-4), with molecular formula C17H19N5OS and molecular weight 341.13 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00166982-02
Property Insights of AB00166982-02
The XLogP value of 3.4 indicates that AB00166982-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00166982-02. Following Lipinski's Rule of Five, AB00166982-02 has 1 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 AB00166982-02?
The CAS number of AB00166982-02 is 688779-36-4.
What is the molecular formula of AB00166982-02?
The molecular formula of AB00166982-02 is C17H19N5OS.
What is the molecular weight of AB00166982-02?
The molecular weight of AB00166982-02 is 341.13 g/mol.
Where can I buy AB00166982-02?
You can request a quote for AB00166982-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00166982-02?
Yes, KEHONG BIO provides custom synthesis services for AB00166982-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.