BRD-K74901416-001-04-5
TL;DR: BRD-K74901416-001-04-5 (CAS 956262-73-0) is a chemical compound with molecular formula C21H19F3N6S2 and molecular weight 476.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
Also Known As: BRD-K74901416-001-04-5, 4-allyl-3-[(3-methylbenzyl)sulfanyl]-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole, 4-[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole, 3-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-5-{[(3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 4-[4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]thiazole
| Molecular Formula | C21H19F3N6S2 |
|---|---|
| Molecular Weight | 476.11 g/mol |
| LogP | 5.70124 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.10648 |
| Heavy Atoms | 32 |
| Complexity | 1254.6964 |
Chemical Identifiers
| CAS Number | 956262-73-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)C3=CSC(=N3)N4C(=CC(=N4)C)C(F)(F)F |
Product Overview
BRD-K74901416-001-04-5 (CAS 956262-73-0), with molecular formula C21H19F3N6S2 and molecular weight 476.11 g/mol. IUPAC: 4-[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
Chemical Property Profile of BRD-K74901416-001-04-5
Property Insights of BRD-K74901416-001-04-5
The XLogP value of 5.70124 indicates that BRD-K74901416-001-04-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K74901416-001-04-5. Following Lipinski's Rule of Five, BRD-K74901416-001-04-5 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRD-K74901416-001-04-5?
The CAS number of BRD-K74901416-001-04-5 is 956262-73-0.
What is the molecular formula of BRD-K74901416-001-04-5?
The molecular formula of BRD-K74901416-001-04-5 is C21H19F3N6S2.
What is the molecular weight of BRD-K74901416-001-04-5?
The molecular weight of BRD-K74901416-001-04-5 is 476.11 g/mol.
Where can I buy BRD-K74901416-001-04-5?
You can request a quote for BRD-K74901416-001-04-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K74901416-001-04-5?
Yes, KEHONG BIO provides custom synthesis services for BRD-K74901416-001-04-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.