abt-925 anhydrous
TL;DR: abt-925 anhydrous (CAS 220519-07-3) is a chemical compound with molecular formula C24H31F3N6O5S and molecular weight 572.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one
Also Known As: ABT-925 anhydrous, ABT 925 Fumerate, ABT 925 Fumarate, ABT-925 fumarate, 4(1H)-Pyrimidinone, 2-((3-(4-(2-(1,1-dimethylethyl)-6-(trifluoromethyl)-4-pyrimidinyl)-1-piperazinyl)propyl)thio)-, (2E)-2-butenedioate (1:1)
| Molecular Formula | C24H31F3N6O5S |
|---|---|
| Molecular Weight | 572.20 g/mol |
| LogP | 2.8924 |
| Topological Polar Surface Area | 152.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 572.2029 |
| Heavy Atoms | 39 |
| Complexity | 1159.4674 |
Chemical Identifiers
| CAS Number | 220519-07-3 |
|---|---|
| SMILES | CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NC=CC(=O)N3)C(F)(F)F.C(=C/C(=O)O)\C(=O)O |
Product Overview
abt-925 anhydrous (CAS 220519-07-3), with molecular formula C24H31F3N6O5S and molecular weight 572.20 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one.
Chemical Property Profile of abt-925 anhydrous
Property Insights of abt-925 anhydrous
The XLogP value of 2.8924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for abt-925 anhydrous. The TPSA of 152.61 Ų indicates high polarity, suggesting abt-925 anhydrous may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, abt-925 anhydrous has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of abt-925 anhydrous?
The CAS number of abt-925 anhydrous is 220519-07-3.
What is the molecular formula of abt-925 anhydrous?
The molecular formula of abt-925 anhydrous is C24H31F3N6O5S.
What is the molecular weight of abt-925 anhydrous?
The molecular weight of abt-925 anhydrous is 572.20 g/mol.
Where can I buy abt-925 anhydrous?
You can request a quote for abt-925 anhydrous directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for abt-925 anhydrous?
Yes, KEHONG BIO provides custom synthesis services for abt-925 anhydrous and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.