Benzene,1-bromo-2,4-dimethoxy-3-methyl
TL;DR: Benzene,1-bromo-2,4-dimethoxy-3-methyl (CAS 227945-50-8) is a chemical compound with molecular formula C18H16N4O3S and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dimethoxyphenyl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: Benzene,1-bromo-2,4-dimethoxy-3-methyl, 6-(3,4-dimethoxyphenyl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(3,4-dimethoxyphenyl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4, 6-(3,4-dimethoxyphenyl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, {[6-(3,4-dimethoxyphenyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-3-yl]methoxy }benzene
| Molecular Formula | C18H16N4O3S |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.0943 |
| Heavy Atoms | 26 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 227945-50-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)COC4=CC=CC=C4)OC |
| InChIKey | NGAISFRNBAKMNP-UHFFFAOYSA-N |
Product Overview
Benzene,1-bromo-2,4-dimethoxy-3-methyl (CAS 227945-50-8), with molecular formula C18H16N4O3S and molecular weight 368.09 g/mol. IUPAC: 6-(3,4-dimethoxyphenyl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of Benzene,1-bromo-2,4-dimethoxy-3-methyl
Property Insights of Benzene,1-bromo-2,4-dimethoxy-3-methyl
The XLogP value of 3.4 indicates that Benzene,1-bromo-2,4-dimethoxy-3-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene,1-bromo-2,4-dimethoxy-3-methyl. Following Lipinski's Rule of Five, Benzene,1-bromo-2,4-dimethoxy-3-methyl has 0 hydrogen bond donor(s) and 7 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 Benzene,1-bromo-2,4-dimethoxy-3-methyl?
The CAS number of Benzene,1-bromo-2,4-dimethoxy-3-methyl is 227945-50-8.
What is the molecular formula of Benzene,1-bromo-2,4-dimethoxy-3-methyl?
The molecular formula of Benzene,1-bromo-2,4-dimethoxy-3-methyl is C18H16N4O3S.
What is the molecular weight of Benzene,1-bromo-2,4-dimethoxy-3-methyl?
The molecular weight of Benzene,1-bromo-2,4-dimethoxy-3-methyl is 368.09 g/mol.
Where can I buy Benzene,1-bromo-2,4-dimethoxy-3-methyl?
You can request a quote for Benzene,1-bromo-2,4-dimethoxy-3-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene,1-bromo-2,4-dimethoxy-3-methyl?
Yes, KEHONG BIO provides custom synthesis services for Benzene,1-bromo-2,4-dimethoxy-3-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.