1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide
TL;DR: 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide (CAS 127906-40-5) is a chemical compound with molecular formula C14H16BrNO2S and molecular weight 341.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,3-diol;hydrobromide
Also Known As: 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide, 6-((2-((Methylamino)methyl)phenyl)thio)-1,3-benzenediol hydrobromide, 4-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,3-diol hydrobromide, 4-({2-[(Methylamino)methyl]phenyl}sulfanyl)benzene-1,3-diol--hydrogen bromide (1/1), RefChem:217806
| Molecular Formula | C14H16BrNO2S |
|---|---|
| Molecular Weight | 341.01 g/mol |
| LogP | 3.5463 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0085 |
| Heavy Atoms | 19 |
| Complexity | 548.71924 |
Chemical Identifiers
| CAS Number | 127906-40-5 |
|---|---|
| SMILES | CNCC1=CC=CC=C1SC2=C(C=C(C=C2)O)O.Br |
Product Overview
1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide (CAS 127906-40-5), with molecular formula C14H16BrNO2S and molecular weight 341.01 g/mol. IUPAC: 4-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,3-diol;hydrobromide.
Chemical Property Profile of 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide
Property Insights of 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide
The XLogP value of 3.5463 indicates that 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.49 Ų, 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenediol, 6-((2-((methylamino)methyl)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 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide?
The CAS number of 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide is 127906-40-5.
What is the molecular formula of 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide?
The molecular formula of 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide is C14H16BrNO2S.
What is the molecular weight of 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide?
The molecular weight of 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide is 341.01 g/mol.
Where can I buy 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide?
You can request a quote for 1,3-Benzenediol, 6-((2-((methylamino)methyl)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 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.