![2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol structure](/static/products/1279/127906-36-9.webp)
2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol
TL;DR: 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol (CAS 127906-36-9) is a chemical compound with molecular formula C14H15NO2S and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,4-diol
Also Known As: 2-({2-[(methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol, AE-641/30177041, 2-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,4-diol, maleic acid;2-[[2-(methylaminomethyl)phenyl]thio]hydroquinone, (Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)phenyl]thio]benzene-1,4-diol
| Molecular Formula | C14H15NO2S |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | 2.9684 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.08234 |
| Heavy Atoms | 18 |
| Complexity | 543.06726 |
Chemical Identifiers
| CAS Number | 127906-36-9 |
|---|---|
| SMILES | CNCC1=CC=CC=C1SC2=C(C=CC(=C2)O)O |
Product Overview
2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol (CAS 127906-36-9), with molecular formula C14H15NO2S and molecular weight 261.08 g/mol. IUPAC: 2-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,4-diol.
Chemical Property Profile of 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol
Property Insights of 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol
The XLogP value of 2.9684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol. With a topological polar surface area (TPSA) of 52.49 Ų, 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol 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 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol?
The CAS number of 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol is 127906-36-9.
What is the molecular formula of 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol?
The molecular formula of 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol is C14H15NO2S.
What is the molecular weight of 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol?
The molecular weight of 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol is 261.08 g/mol.
Where can I buy 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol?
You can request a quote for 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[(Methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.