AB00684845-01
TL;DR: AB00684845-01 (CAS 852170-07-1) is a chemical compound with molecular formula C22H17F2N5O3S and molecular weight 469.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide
Also Known As: AB00684845-01, F0654-1069, N-(4-fluorophenyl)-2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide, N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide, N-(4-fluorophenyl)-2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
| Molecular Formula | C22H17F2N5O3S |
|---|---|
| Molecular Weight | 469.10 g/mol |
| LogP | 2.7032 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.10202 |
| Heavy Atoms | 33 |
| Complexity | 1482.1664 |
Chemical Identifiers
| CAS Number | 852170-07-1 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)F)SCC(=O)NC4=CC=C(C=C4)F)C(=O)N(C1=O)C |
Product Overview
AB00684845-01 (CAS 852170-07-1), with molecular formula C22H17F2N5O3S and molecular weight 469.10 g/mol. IUPAC: N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide.
Chemical Property Profile of AB00684845-01
Property Insights of AB00684845-01
The XLogP value of 2.7032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684845-01. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684845-01. Following Lipinski's Rule of Five, AB00684845-01 has 1 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 AB00684845-01?
The CAS number of AB00684845-01 is 852170-07-1.
What is the molecular formula of AB00684845-01?
The molecular formula of AB00684845-01 is C22H17F2N5O3S.
What is the molecular weight of AB00684845-01?
The molecular weight of AB00684845-01 is 469.10 g/mol.
Where can I buy AB00684845-01?
You can request a quote for AB00684845-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684845-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684845-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.