F0648-0541
TL;DR: F0648-0541 (CAS 852153-18-5) is a chemical compound with molecular formula C22H21N5O3S and molecular weight 435.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(4-methoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0541, 6-((4-(4-methoxyphenyl)-5-((2-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[4-(4-methoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-{[4-(4-methoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C22H21N5O3S |
|---|---|
| Molecular Weight | 435.14 g/mol |
| LogP | 2.84402 |
| Topological Polar Surface Area | 105.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.1365 |
| Heavy Atoms | 31 |
| Complexity | 1279.4736 |
Chemical Identifiers
| CAS Number | 852153-18-5 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)OC)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0541 (CAS 852153-18-5), with molecular formula C22H21N5O3S and molecular weight 435.14 g/mol. IUPAC: 6-[[4-(4-methoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of F0648-0541
Property Insights of F0648-0541
The XLogP value of 2.84402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0541. The TPSA of 105.66 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0541. Following Lipinski's Rule of Five, F0648-0541 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 F0648-0541?
The CAS number of F0648-0541 is 852153-18-5.
What is the molecular formula of F0648-0541?
The molecular formula of F0648-0541 is C22H21N5O3S.
What is the molecular weight of F0648-0541?
The molecular weight of F0648-0541 is 435.14 g/mol.
Where can I buy F0648-0541?
You can request a quote for F0648-0541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0541?
Yes, KEHONG BIO provides custom synthesis services for F0648-0541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.