4T-0890
TL;DR: 4T-0890 (CAS 685107-58-8) is a chemical compound with molecular formula C24H25N3O3 and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(4-tert-butylphenoxy)phenyl]-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one
Also Known As: 4T-0890, 5-{3-[4-(tert-butyl)phenoxy]phenyl}-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one, 5-[3-(4-tert-butylphenoxy)phenyl]-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one, 5-[3-(4-tert-butylphenoxy)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)cyclohex-2-en-1-one
| Molecular Formula | C24H25N3O3 |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | 5.1075 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.1896 |
| Heavy Atoms | 30 |
| Complexity | 1063.8306 |
Chemical Identifiers
| CAS Number | 685107-58-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C3CC(=O)C=C(C3N4C=NC=N4)O |
Product Overview
4T-0890 (CAS 685107-58-8), with molecular formula C24H25N3O3 and molecular weight 403.19 g/mol. IUPAC: 5-[3-(4-tert-butylphenoxy)phenyl]-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one.
Chemical Property Profile of 4T-0890
Property Insights of 4T-0890
The XLogP value of 5.1075 indicates that 4T-0890 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4T-0890. Following Lipinski's Rule of Five, 4T-0890 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4T-0890?
The CAS number of 4T-0890 is 685107-58-8.
What is the molecular formula of 4T-0890?
The molecular formula of 4T-0890 is C24H25N3O3.
What is the molecular weight of 4T-0890?
The molecular weight of 4T-0890 is 403.19 g/mol.
Where can I buy 4T-0890?
You can request a quote for 4T-0890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4T-0890?
Yes, KEHONG BIO provides custom synthesis services for 4T-0890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.