SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT
TL;DR: SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT (CAS 7063-26-5) is a chemical compound with molecular formula C25H25N5O4S2 and molecular weight 523.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT, 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-1,4-dimethyl-6-oxopyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, (5-{[2-(4-Benzylpiperazin-1-yl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
| Molecular Formula | C25H25N5O4S2 |
|---|---|
| Molecular Weight | 523.13 g/mol |
| LogP | 2.1734 |
| Topological Polar Surface Area | 109.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 523.1348 |
| Heavy Atoms | 36 |
| Complexity | 1355.2301 |
Chemical Identifiers
| CAS Number | 7063-26-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CC(=O)O)N3CCN(CC3)CC4=CC=CC=C4)C)C#N |
Product Overview
SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT (CAS 7063-26-5), with molecular formula C25H25N5O4S2 and molecular weight 523.13 g/mol. IUPAC: 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT
Property Insights of SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT
The XLogP value of 2.1734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT. The TPSA of 109.88 Ų falls within the moderate polarity range, balancing permeability and solubility for SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT. Following Lipinski's Rule of Five, SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT?
The CAS number of SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT is 7063-26-5.
What is the molecular formula of SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT?
The molecular formula of SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT is C25H25N5O4S2.
What is the molecular weight of SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT?
The molecular weight of SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT is 523.13 g/mol.
Where can I buy SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT?
You can request a quote for SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT?
Yes, KEHONG BIO provides custom synthesis services for SULFONIUM,METHYL(2-OXO-2-PHENYLETHYL)PHENYL-, INNER SALT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.