F0648-0540
TL;DR: F0648-0540 (CAS 852153-17-4) is a chemical compound with molecular formula C21H18BrN5O3S and molecular weight 499.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0540, 6-((5-((4-bromobenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-[(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C21H18BrN5O3S |
|---|---|
| Molecular Weight | 499.03 g/mol |
| LogP | 3.2981 |
| Topological Polar Surface Area | 105.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.03137 |
| Heavy Atoms | 31 |
| Complexity | 1268.0924 |
Chemical Identifiers
| CAS Number | 852153-17-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0540 (CAS 852153-17-4), with molecular formula C21H18BrN5O3S and molecular weight 499.03 g/mol. IUPAC: 6-[[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of F0648-0540
Property Insights of F0648-0540
The XLogP value of 3.2981 indicates that F0648-0540 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.66 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0540. Following Lipinski's Rule of Five, F0648-0540 has 2 hydrogen bond donor(s) and 6 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 F0648-0540?
The CAS number of F0648-0540 is 852153-17-4.
What is the molecular formula of F0648-0540?
The molecular formula of F0648-0540 is C21H18BrN5O3S.
What is the molecular weight of F0648-0540?
The molecular weight of F0648-0540 is 499.03 g/mol.
Where can I buy F0648-0540?
You can request a quote for F0648-0540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0540?
Yes, KEHONG BIO provides custom synthesis services for F0648-0540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.