F2649-0042
TL;DR: F2649-0042 (CAS 901153-93-3) is a chemical compound with molecular formula C17H18N6O3S and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
Also Known As: F2649-0042, 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide, 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,5-dimethoxyphenyl)acetamide, 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
| Molecular Formula | C17H18N6O3S |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 1.8019 |
| Topological Polar Surface Area | 117.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.11612 |
| Heavy Atoms | 27 |
| Complexity | 931.6731 |
Chemical Identifiers
| CAS Number | 901153-93-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 |
Product Overview
F2649-0042 (CAS 901153-93-3), with molecular formula C17H18N6O3S and molecular weight 386.12 g/mol. IUPAC: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide.
Chemical Property Profile of F2649-0042
Property Insights of F2649-0042
The XLogP value of 1.8019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2649-0042. The TPSA of 117.18 Ų falls within the moderate polarity range, balancing permeability and solubility for F2649-0042. Following Lipinski's Rule of Five, F2649-0042 has 2 hydrogen bond donor(s) and 8 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 F2649-0042?
The CAS number of F2649-0042 is 901153-93-3.
What is the molecular formula of F2649-0042?
The molecular formula of F2649-0042 is C17H18N6O3S.
What is the molecular weight of F2649-0042?
The molecular weight of F2649-0042 is 386.12 g/mol.
Where can I buy F2649-0042?
You can request a quote for F2649-0042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2649-0042?
Yes, KEHONG BIO provides custom synthesis services for F2649-0042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.