![2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid structure](/static/products/1279/127906-52-9.webp)
2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid
TL;DR: 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid (CAS 127906-52-9) is a chemical compound with molecular formula C17H17NO6S and molecular weight 363.07767 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid
Also Known As: 2-((2-(Aminomethyl)phenyl)thio)-1,4-benzenediol (Z)-2-butenedioate (1:1) (salt)
Technical Specifications
| Molecular Formula | C17H17NO6S |
| Molecular Weight | 363.07767 g/mol |
| XLogP | 2.4195 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.07767 Da |
| Heavy Atoms | 25 |
| Complexity | 358.0 |
| SMILES | C1=CC=C(C(=C1)CN)SC2=C(C=CC(=C2)O)O.C(=CC(=O)O)C(=O)O |
| InChIKey | FKJACHKCPOEXNH-UHFFFAOYSA-N |
Chemical Property Profile of 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid
Property Insights of 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid
The XLogP value of 2.4195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid. The TPSA of 166.0 Ų indicates high polarity, suggesting 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid?
The CAS number of 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid is 127906-52-9.
What is the molecular formula of 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid?
The molecular formula of 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid is C17H17NO6S.
What is the molecular weight of 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid?
The molecular weight of 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid is 363.07767 g/mol.
Where can I buy 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid?
You can request a quote for 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid?
Yes, CoreyChem provides custom synthesis services for 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.