F0790-0053
TL;DR: F0790-0053 (CAS 326014-77-1) is a chemical compound with molecular formula C28H27N3O5S and molecular weight 517.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: F0790-0053, AF-399/14737038, 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((5-(4-ethoxybenzyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C28H27N3O5S |
|---|---|
| Molecular Weight | 517.17 g/mol |
| LogP | 5.0116 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.1671 |
| Heavy Atoms | 37 |
| Complexity | 1369.8406 |
Chemical Identifiers
| CAS Number | 326014-77-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
F0790-0053 (CAS 326014-77-1), with molecular formula C28H27N3O5S and molecular weight 517.17 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of F0790-0053
Property Insights of F0790-0053
The XLogP value of 5.0116 indicates that F0790-0053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for F0790-0053. Following Lipinski's Rule of Five, F0790-0053 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0790-0053?
The CAS number of F0790-0053 is 326014-77-1.
What is the molecular formula of F0790-0053?
The molecular formula of F0790-0053 is C28H27N3O5S.
What is the molecular weight of F0790-0053?
The molecular weight of F0790-0053 is 517.17 g/mol.
Where can I buy F0790-0053?
You can request a quote for F0790-0053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0790-0053?
Yes, KEHONG BIO provides custom synthesis services for F0790-0053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.