IFLab1_005049
TL;DR: IFLab1_005049 (CAS 537017-64-4) is a chemical compound with molecular formula C15H11Cl2N3O3S and molecular weight 382.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: IFLab1_005049, F1219-1702, 2-((5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[[5-(2,4-Dichlorophenyl)-4-(2-furanylmethyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid, 2-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
| Molecular Formula | C15H11Cl2N3O3S |
|---|---|
| Molecular Weight | 382.99 g/mol |
| LogP | 4.0699 |
| Topological Polar Surface Area | 81.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.9898 |
| Heavy Atoms | 24 |
| Complexity | 864.9839 |
Chemical Identifiers
| CAS Number | 537017-64-4 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NN=C2SCC(=O)O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
IFLab1_005049 (CAS 537017-64-4), with molecular formula C15H11Cl2N3O3S and molecular weight 382.99 g/mol. IUPAC: 2-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of IFLab1_005049
Property Insights of IFLab1_005049
The XLogP value of 4.0699 indicates that IFLab1_005049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.15 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005049. Following Lipinski's Rule of Five, IFLab1_005049 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 IFLab1_005049?
The CAS number of IFLab1_005049 is 537017-64-4.
What is the molecular formula of IFLab1_005049?
The molecular formula of IFLab1_005049 is C15H11Cl2N3O3S.
What is the molecular weight of IFLab1_005049?
The molecular weight of IFLab1_005049 is 382.99 g/mol.
Where can I buy IFLab1_005049?
You can request a quote for IFLab1_005049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005049?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.