AB00684779-01
TL;DR: AB00684779-01 (CAS 852154-21-3) is a chemical compound with molecular formula C22H17FN6O5S and molecular weight 496.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00684779-01, F0648-0730, N-(1,3-benzodioxol-5-yl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C22H17FN6O5S |
|---|---|
| Molecular Weight | 496.10 g/mol |
| LogP | 1.8333 |
| Topological Polar Surface Area | 143.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.09653 |
| Heavy Atoms | 35 |
| Complexity | 1485.7529 |
Chemical Identifiers
| CAS Number | 852154-21-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CC5=CC(=O)NC(=O)N5 |
Product Overview
AB00684779-01 (CAS 852154-21-3), with molecular formula C22H17FN6O5S and molecular weight 496.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00684779-01
Property Insights of AB00684779-01
The XLogP value of 1.8333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684779-01. The TPSA of 143.99 Ų indicates high polarity, suggesting AB00684779-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00684779-01 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 AB00684779-01?
The CAS number of AB00684779-01 is 852154-21-3.
What is the molecular formula of AB00684779-01?
The molecular formula of AB00684779-01 is C22H17FN6O5S.
What is the molecular weight of AB00684779-01?
The molecular weight of AB00684779-01 is 496.10 g/mol.
Where can I buy AB00684779-01?
You can request a quote for AB00684779-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684779-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684779-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.