![But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol structure](/static/products/1279/127906-32-5.webp)
But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol
TL;DR: But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol (CAS 127906-32-5) is a chemical compound with molecular formula C18H19NO5S and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol
Also Known As: 2-((2-((Methylamino)methyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)
| Molecular Formula | C18H19NO5S |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 2.9746 |
| Topological Polar Surface Area | 106.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.0984 |
| Heavy Atoms | 25 |
| Complexity | 729.7512 |
Chemical Identifiers
| CAS Number | 127906-32-5 |
|---|---|
| SMILES | CNCC1=CC=CC=C1SC2=CC=CC=C2O.C(=CC(=O)O)C(=O)O |
Product Overview
But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol (CAS 127906-32-5), with molecular formula C18H19NO5S and molecular weight 361.10 g/mol. IUPAC: but-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol.
Chemical Property Profile of But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol
Property Insights of But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol
The XLogP value of 2.9746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol. The TPSA of 106.86 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol. Following Lipinski's Rule of Five, But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol has 4 hydrogen bond donor(s) and 5 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 But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol?
The CAS number of But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol is 127906-32-5.
What is the molecular formula of But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol?
The molecular formula of But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol is C18H19NO5S.
What is the molecular weight of But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol?
The molecular weight of But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol is 361.10 g/mol.
Where can I buy But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol?
You can request a quote for But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol?
Yes, KEHONG BIO provides custom synthesis services for But-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.