F0648-0076
TL;DR: F0648-0076 (CAS 852047-03-1) is a chemical compound with molecular formula C22H17N7O3S2 and molecular weight 491.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F0648-0076, N-(benzo[d]thiazol-2-yl)-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(1,3-benzothiazol-2-yl)-2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(1,3-benzothiazol-2-yl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H17N7O3S2 |
|---|---|
| Molecular Weight | 491.08 g/mol |
| LogP | 2.5752 |
| Topological Polar Surface Area | 138.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.08344 |
| Heavy Atoms | 34 |
| Complexity | 1526.1615 |
Chemical Identifiers
| CAS Number | 852047-03-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CC5=CC(=O)NC(=O)N5 |
Product Overview
F0648-0076 (CAS 852047-03-1), with molecular formula C22H17N7O3S2 and molecular weight 491.08 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of F0648-0076
Property Insights of F0648-0076
The XLogP value of 2.5752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0076. The TPSA of 138.42 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0076. Following Lipinski's Rule of Five, F0648-0076 has 3 hydrogen bond donor(s) and 8 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 F0648-0076?
The CAS number of F0648-0076 is 852047-03-1.
What is the molecular formula of F0648-0076?
The molecular formula of F0648-0076 is C22H17N7O3S2.
What is the molecular weight of F0648-0076?
The molecular weight of F0648-0076 is 491.08 g/mol.
Where can I buy F0648-0076?
You can request a quote for F0648-0076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0076?
Yes, KEHONG BIO provides custom synthesis services for F0648-0076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.