![4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol structure](/static/products/127/127906-45-0.png)
4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol
TL;DR: 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol (CAS 127906-45-0) is a chemical compound with molecular formula C13H13NOS and molecular weight 231.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(aminomethyl)phenyl]sulfanylphenol
Also Known As: 4-[2-(aminomethyl)phenyl]sulfanylphenol, 4-{[2-(aminomethyl)phenyl]sulfanyl}phenol, AE-641/00358017, AE-641/30177004
| Molecular Formula | C13H13NOS |
|---|---|
| Molecular Weight | 231.07 g/mol |
| LogP | 3.0021 |
| Topological Polar Surface Area | 46.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.0718 |
| Heavy Atoms | 16 |
| Complexity | 467.61374 |
Chemical Identifiers
| CAS Number | 127906-45-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN)SC2=CC=C(C=C2)O |
Product Overview
4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol (CAS 127906-45-0), with molecular formula C13H13NOS and molecular weight 231.07 g/mol. IUPAC: 4-[2-(aminomethyl)phenyl]sulfanylphenol.
Chemical Property Profile of 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol
Property Insights of 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol
The XLogP value of 3.0021 indicates that 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.25 Ų, 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol has 2 hydrogen bond donor(s) and 3 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 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol?
The CAS number of 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol is 127906-45-0.
What is the molecular formula of 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol?
The molecular formula of 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol is C13H13NOS.
What is the molecular weight of 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol?
The molecular weight of 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol is 231.07 g/mol.
Where can I buy 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol?
You can request a quote for 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[2-(Aminomethyl)phenyl]sulfanyl}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.