![But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol structure](/static/products/1279/127906-23-4.webp)
But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol
TL;DR: But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol (CAS 127906-23-4) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol
Also Known As: 2-((2-((Dimethylamino)methyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)
Technical Specifications
| Molecular Formula | C19H21NO5S |
| Molecular Weight | 375.11404 g/mol |
| XLogP | 3.3168 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.11404 Da |
| Heavy Atoms | 26 |
| Complexity | 366.0 |
| SMILES | CN(C)CC1=CC=CC=C1SC2=CC=CC=C2O.C(=CC(=O)O)C(=O)O |
| InChIKey | QTZOUIHOSDJQMO-UHFFFAOYSA-N |
Chemical Property Profile of But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol
Property Insights of But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol
The XLogP value of 3.3168 indicates that But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol. Following Lipinski's Rule of Five, But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol?
The CAS number of But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol is 127906-23-4.
What is the molecular formula of But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol?
The molecular formula of But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol is C19H21NO5S.
What is the molecular weight of But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol?
The molecular weight of But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol is 375.11404 g/mol.
Where can I buy But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol?
You can request a quote for But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol?
Yes, CoreyChem provides custom synthesis services for But-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.