2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol
TL;DR: 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol (CAS 701219-89-8) is a chemical compound with molecular formula C14H10BrNO2S and molecular weight 334.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-bromo-6-methoxyphenol
Also Known As: 2-(1,3-benzothiazol-2-yl)-4-bromo-6-methoxyphenol, AN-698/42227443, 2-(benzo[d]thiazol-2-yl)-4-bromo-6-methoxyphenol, (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-4-bromo-2-methoxycyclohexa-2,4-dien-1-one, (6Z)-6-(3H-1,3-benzothiazol-2-ylidene)-4-bromo-2-methoxycyclohexa-2,4-dien-1-one
| Molecular Formula | C14H10BrNO2S |
|---|---|
| Molecular Weight | 334.96 g/mol |
| LogP | 4.44 |
| Topological Polar Surface Area | 42.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.96155 |
| Heavy Atoms | 19 |
| Complexity | 721.2858 |
Chemical Identifiers
| CAS Number | 701219-89-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)C2=NC3=CC=CC=C3S2)Br |
Product Overview
2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol (CAS 701219-89-8), with molecular formula C14H10BrNO2S and molecular weight 334.96 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-bromo-6-methoxyphenol.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol
Property Insights of 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol
The XLogP value of 4.44 indicates that 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.35 Ų, 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol has 1 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-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol is 701219-89-8.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol is C14H10BrNO2S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol is 334.96 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-4-bromo-6-methoxyphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.