1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide
TL;DR: 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide (CAS 127906-53-0) is a chemical compound with molecular formula C13H14BrNO2S and molecular weight 326.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(aminomethyl)phenyl]sulfanylbenzene-1,2-diol;hydrobromide
Also Known As: 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide, 4-((2-(Aminomethyl)phenyl)thio)-1,2-benzenediol hydrobromide, 4-[2-(aminomethyl)phenyl]sulfanylbenzene-1,2-diol hydrobromide, 4-[2-(aminomethyl)phenyl]sulfanylbenzene-1,2-diol,hydrobromide, 4-{[2-(Aminomethyl)phenyl]sulfanyl}benzene-1,2-diol--hydrogen bromide (1/1)
| Molecular Formula | C13H14BrNO2S |
|---|---|
| Molecular Weight | 326.99 g/mol |
| LogP | 3.2856 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.99286 |
| Heavy Atoms | 18 |
| Complexity | 534.1497 |
Chemical Identifiers
| CAS Number | 127906-53-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN)SC2=CC(=C(C=C2)O)O.Br |
Product Overview
1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide (CAS 127906-53-0), with molecular formula C13H14BrNO2S and molecular weight 326.99 g/mol. IUPAC: 4-[2-(aminomethyl)phenyl]sulfanylbenzene-1,2-diol;hydrobromide.
Chemical Property Profile of 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide
Property Insights of 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide
The XLogP value of 3.2856 indicates that 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide. Following Lipinski's Rule of Five, 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide has 3 hydrogen bond donor(s) and 4 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 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide?
The CAS number of 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide is 127906-53-0.
What is the molecular formula of 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide?
The molecular formula of 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide is C13H14BrNO2S.
What is the molecular weight of 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide?
The molecular weight of 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide is 326.99 g/mol.
Where can I buy 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide?
You can request a quote for 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.