2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone
TL;DR: 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone (CAS 126190-03-2) is a chemical compound with molecular formula C11H12BrNO5S and molecular weight 348.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-(3-bromo-2,5-dihydroxyphenyl)sulfanylpropanoic acid
Also Known As: 6-Bacyhq, 2,3-dibromothiophenol, N-Acetyl-S-(3-bromo-2,5-dihydroxyphenyl)-L-cysteine, 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone, S-(3-Bromo-2,5-dihydroxyphenyl)mercapturic acid
| Molecular Formula | C11H12BrNO5S |
|---|---|
| Molecular Weight | 348.96 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.96198 |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 126190-03-2 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSC1=C(C(=CC(=C1)O)Br)O)C(=O)O |
| InChIKey | NWHGRDNQEXMEMK-QMMMGPOBSA-N |
Product Overview
2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone (CAS 126190-03-2), with molecular formula C11H12BrNO5S and molecular weight 348.96 g/mol. IUPAC: (2R)-2-acetamido-3-(3-bromo-2,5-dihydroxyphenyl)sulfanylpropanoic acid.
Chemical Property Profile of 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone
Property Insights of 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone. Following Lipinski's Rule of Five, 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone has 4 hydrogen bond donor(s) and 6 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-Bromo-6-(N-acetylcystein-S-yl)hydroquinone?
The CAS number of 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone is 126190-03-2.
What is the molecular formula of 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone?
The molecular formula of 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone is C11H12BrNO5S.
What is the molecular weight of 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone?
The molecular weight of 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone is 348.96 g/mol.
Where can I buy 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone?
You can request a quote for 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-6-(N-acetylcystein-S-yl)hydroquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.