8W-0815
TL;DR: 8W-0815 (CAS 956441-48-8) is a chemical compound with molecular formula C22H19F3N6O2S2 and molecular weight 520.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
Also Known As: 8W-0815, methyl 4-{[(4-allyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate, methyl 4-[[5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate, methyl 4-{[(5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate, methyl4-{[(5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate
| Molecular Formula | C22H19F3N6O2S2 |
|---|---|
| Molecular Weight | 520.10 g/mol |
| LogP | 5.17942 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.0963 |
| Heavy Atoms | 35 |
| Complexity | 1358.436 |
Chemical Identifiers
| CAS Number | 956441-48-8 |
|---|---|
| SMILES | CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C3=NN=C(N3CC=C)SCC4=CC=C(C=C4)C(=O)OC |
Product Overview
8W-0815 (CAS 956441-48-8), with molecular formula C22H19F3N6O2S2 and molecular weight 520.10 g/mol. IUPAC: methyl 4-[[5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of 8W-0815
Property Insights of 8W-0815
The XLogP value of 5.17942 indicates that 8W-0815 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 8W-0815. Following Lipinski's Rule of Five, 8W-0815 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 8W-0815?
The CAS number of 8W-0815 is 956441-48-8.
What is the molecular formula of 8W-0815?
The molecular formula of 8W-0815 is C22H19F3N6O2S2.
What is the molecular weight of 8W-0815?
The molecular weight of 8W-0815 is 520.10 g/mol.
Where can I buy 8W-0815?
You can request a quote for 8W-0815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8W-0815?
Yes, KEHONG BIO provides custom synthesis services for 8W-0815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.