F0648-0070
TL;DR: F0648-0070 (CAS 852046-96-9) is a chemical compound with molecular formula C23H20N6O5S and molecular weight 492.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F0648-0070, N-[(2H-1,3-benzodioxol-5-yl)methyl]-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-benzodioxol-5-ylmethyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C23H20N6O5S |
|---|---|
| Molecular Weight | 492.12 g/mol |
| LogP | 1.3719 |
| Topological Polar Surface Area | 143.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.12158 |
| Heavy Atoms | 35 |
| Complexity | 1451.5028 |
Chemical Identifiers
| CAS Number | 852046-96-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC(=O)NC(=O)N5 |
Product Overview
F0648-0070 (CAS 852046-96-9), with molecular formula C23H20N6O5S and molecular weight 492.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of F0648-0070
Property Insights of F0648-0070
The XLogP value of 1.3719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0070. The TPSA of 143.99 Ų indicates high polarity, suggesting F0648-0070 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0648-0070 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 F0648-0070?
The CAS number of F0648-0070 is 852046-96-9.
What is the molecular formula of F0648-0070?
The molecular formula of F0648-0070 is C23H20N6O5S.
What is the molecular weight of F0648-0070?
The molecular weight of F0648-0070 is 492.12 g/mol.
Where can I buy F0648-0070?
You can request a quote for F0648-0070 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0070?
Yes, KEHONG BIO provides custom synthesis services for F0648-0070 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.