Antimicrobial agent-38
TL;DR: Antimicrobial agent-38 (CAS 430444-03-4) is a chemical compound with molecular formula C14H11N3O4S and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: Antimicrobial agent-38, ChemDiv1_008390, DivK1c_003030, CDS1_001990, BAS 03014600
| Molecular Formula | C14H11N3O4S |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.04703 |
| Heavy Atoms | 22 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 430444-03-4 |
|---|---|
| SMILES | C1=COC(=C1)C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)O)O |
| InChIKey | YSRCAUJGAQEAHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Antimicrobial agent-38 (CAS 430444-03-4), with molecular formula C14H11N3O4S and molecular weight 317.05 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of Antimicrobial agent-38
Property Insights of Antimicrobial agent-38
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antimicrobial agent-38. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Antimicrobial agent-38. Following Lipinski's Rule of Five, Antimicrobial agent-38 has 3 hydrogen bond donor(s) and 7 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 Antimicrobial agent-38?
The CAS number of Antimicrobial agent-38 is 430444-03-4.
What is the molecular formula of Antimicrobial agent-38?
The molecular formula of Antimicrobial agent-38 is C14H11N3O4S.
What is the molecular weight of Antimicrobial agent-38?
The molecular weight of Antimicrobial agent-38 is 317.05 g/mol.
Where can I buy Antimicrobial agent-38?
You can request a quote for Antimicrobial agent-38 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antimicrobial agent-38?
Yes, KEHONG BIO provides custom synthesis services for Antimicrobial agent-38 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.