2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)
TL;DR: 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt) (CAS 127906-50-7) is a chemical compound with molecular formula C17H17NO5S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(aminomethyl)phenyl]sulfanylphenol;but-2-enedioic acid
Also Known As: 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)
| Molecular Formula | C17H17NO5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 2.7139 |
| Topological Polar Surface Area | 120.85 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.08273 |
| Heavy Atoms | 24 |
| Complexity | 714.4258 |
Chemical Identifiers
| CAS Number | 127906-50-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN)SC2=CC=CC=C2O.C(=CC(=O)O)C(=O)O |
Product Overview
2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt) (CAS 127906-50-7), with molecular formula C17H17NO5S and molecular weight 347.08 g/mol. IUPAC: 2-[2-(aminomethyl)phenyl]sulfanylphenol;but-2-enedioic acid.
Chemical Property Profile of 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)
Property Insights of 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)
The XLogP value of 2.7139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt). The TPSA of 120.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt). Following Lipinski's Rule of Five, 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt) 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 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)?
The CAS number of 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt) is 127906-50-7.
What is the molecular formula of 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)?
The molecular formula of 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt) is C17H17NO5S.
What is the molecular weight of 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)?
The molecular weight of 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt) is 347.08 g/mol.
Where can I buy 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)?
You can request a quote for 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt) 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)thio)phenol (Z)-2-butenedioate (1:1) (salt)?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.