![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 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)
| Molecular Formula | C17H17NO6S |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 2.4195 |
| Topological Polar Surface Area | 141.08 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.07767 |
| Heavy Atoms | 25 |
| Complexity | 759.48346 |
Chemical Identifiers
| CAS Number | 127906-52-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN)SC2=C(C=CC(=C2)O)O.C(=CC(=O)O)C(=O)O |
Product Overview
2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid (CAS 127906-52-9), with molecular formula C17H17NO6S and molecular weight 363.08 g/mol. IUPAC: 2-[2-(aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid.
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 141.08 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 6 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 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 363.08 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Aminomethyl)phenyl]sulfanylbenzene-1,4-diol;but-2-enedioic acid?
Yes, KEHONG BIO 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.