IDI1_020596
TL;DR: IDI1_020596 (CAS 310418-54-3) is a chemical compound with molecular formula C19H16FN3OS2 and molecular weight 385.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Also Known As: IDI1_020596, (E)-N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide, AN-758/13468025, (2E)-N-(5-{[(2-fluorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide, BRD-K89994857-001-01-5
| Molecular Formula | C19H16FN3OS2 |
|---|---|
| Molecular Weight | 385.07 g/mol |
| LogP | 4.7625 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.07187 |
| Heavy Atoms | 26 |
| Complexity | 896.5646 |
Chemical Identifiers
| CAS Number | 310418-54-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3F |
Product Overview
IDI1_020596 (CAS 310418-54-3), with molecular formula C19H16FN3OS2 and molecular weight 385.07 g/mol. IUPAC: (E)-N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide.
Chemical Property Profile of IDI1_020596
Property Insights of IDI1_020596
The XLogP value of 4.7625 indicates that IDI1_020596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, IDI1_020596 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IDI1_020596 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 IDI1_020596?
The CAS number of IDI1_020596 is 310418-54-3.
What is the molecular formula of IDI1_020596?
The molecular formula of IDI1_020596 is C19H16FN3OS2.
What is the molecular weight of IDI1_020596?
The molecular weight of IDI1_020596 is 385.07 g/mol.
Where can I buy IDI1_020596?
You can request a quote for IDI1_020596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_020596?
Yes, KEHONG BIO provides custom synthesis services for IDI1_020596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.