AB00415560-04
TL;DR: AB00415560-04 (CAS 852168-30-0) is a chemical compound with molecular formula C18H16F3N5O3S and molecular weight 439.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(trifluoromethyl)phenyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
Also Known As: AB00415560-04, F0654-0057, N-(4-(trifluoromethyl)phenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide, N-[4-(trifluoromethyl)phenyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide, N-[4-(trifluoromethyl)phenyl]-2-({2,6,8-trimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetamide
| Molecular Formula | C18H16F3N5O3S |
|---|---|
| Molecular Weight | 439.09 g/mol |
| LogP | 2.08522 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.0926 |
| Heavy Atoms | 30 |
| Complexity | 1249.6224 |
Chemical Identifiers
| CAS Number | 852168-30-0 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C(=O)N2C)C |
Product Overview
AB00415560-04 (CAS 852168-30-0), with molecular formula C18H16F3N5O3S and molecular weight 439.09 g/mol. IUPAC: N-[4-(trifluoromethyl)phenyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide.
Chemical Property Profile of AB00415560-04
Property Insights of AB00415560-04
The XLogP value of 2.08522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00415560-04. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00415560-04. Following Lipinski's Rule of Five, AB00415560-04 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 AB00415560-04?
The CAS number of AB00415560-04 is 852168-30-0.
What is the molecular formula of AB00415560-04?
The molecular formula of AB00415560-04 is C18H16F3N5O3S.
What is the molecular weight of AB00415560-04?
The molecular weight of AB00415560-04 is 439.09 g/mol.
Where can I buy AB00415560-04?
You can request a quote for AB00415560-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00415560-04?
Yes, KEHONG BIO provides custom synthesis services for AB00415560-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.