IFLab1_006479
TL;DR: IFLab1_006479 (CAS 690247-30-4) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: IFLab1_006479, BAS 14869570, F1651-0092, 2-{[5-(3,4-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one, 2-{[5-(3,4-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C21H21N3O3S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 4.1233 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 395.13037 |
| Heavy Atoms | 28 |
| Complexity | 970.2821 |
Chemical Identifiers
| CAS Number | 690247-30-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3)OC |
Product Overview
IFLab1_006479 (CAS 690247-30-4), with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol. IUPAC: 2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of IFLab1_006479
Property Insights of IFLab1_006479
The XLogP value of 4.1233 indicates that IFLab1_006479 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_006479. Following Lipinski's Rule of Five, IFLab1_006479 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 IFLab1_006479?
The CAS number of IFLab1_006479 is 690247-30-4.
What is the molecular formula of IFLab1_006479?
The molecular formula of IFLab1_006479 is C21H21N3O3S.
What is the molecular weight of IFLab1_006479?
The molecular weight of IFLab1_006479 is 395.13 g/mol.
Where can I buy IFLab1_006479?
You can request a quote for IFLab1_006479 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006479?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006479 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.