ML085 Analog
TL;DR: ML085 Analog (CAS 714932-18-0) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: ML085 Analog, 1-(3,4-dihydroxyphenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone, 1-(3,4-dihydroxyphenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone, 1-(3,4-dihydroxyphenyl)-2-[5-(4-methoxyphenyl)-4-prop-2-enyl(1,2,4-triazol-3-y lthio)]ethan-1-one
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 3.5259 |
| Topological Polar Surface Area | 97.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 999.1854 |
Chemical Identifiers
| CAS Number | 714932-18-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC(=C(C=C3)O)O |
Product Overview
ML085 Analog (CAS 714932-18-0), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of ML085 Analog
Property Insights of ML085 Analog
The XLogP value of 3.5259 indicates that ML085 Analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ML085 Analog. Following Lipinski's Rule of Five, ML085 Analog has 2 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 ML085 Analog?
The CAS number of ML085 Analog is 714932-18-0.
What is the molecular formula of ML085 Analog?
The molecular formula of ML085 Analog is C20H19N3O4S.
What is the molecular weight of ML085 Analog?
The molecular weight of ML085 Analog is 397.11 g/mol.
Where can I buy ML085 Analog?
You can request a quote for ML085 Analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML085 Analog?
Yes, KEHONG BIO provides custom synthesis services for ML085 Analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.