Bionet2_000042
TL;DR: Bionet2_000042 (CAS 338422-60-9) is a chemical compound with molecular formula C13H13BrN2O2S and molecular weight 339.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone
Also Known As: Bionet2_000042, 1-(4-bromophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone, 1-(4-bromophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}ethan-1-one, 1-(4-bromophenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone, 1-(4-Bromophenyl)-2-[[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]thio]ethanone
| Molecular Formula | C13H13BrN2O2S |
|---|---|
| Molecular Weight | 339.99 g/mol |
| LogP | 2.6499 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.9881 |
| Heavy Atoms | 19 |
| Complexity | 580.8292 |
Chemical Identifiers
| CAS Number | 338422-60-9 |
|---|---|
| SMILES | CN1C(=CN=C1SCC(=O)C2=CC=C(C=C2)Br)CO |
Product Overview
Bionet2_000042 (CAS 338422-60-9), with molecular formula C13H13BrN2O2S and molecular weight 339.99 g/mol. IUPAC: 1-(4-bromophenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone.
Chemical Property Profile of Bionet2_000042
Property Insights of Bionet2_000042
The XLogP value of 2.6499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet2_000042. With a topological polar surface area (TPSA) of 55.12 Ų, Bionet2_000042 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet2_000042 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 Bionet2_000042?
The CAS number of Bionet2_000042 is 338422-60-9.
What is the molecular formula of Bionet2_000042?
The molecular formula of Bionet2_000042 is C13H13BrN2O2S.
What is the molecular weight of Bionet2_000042?
The molecular weight of Bionet2_000042 is 339.99 g/mol.
Where can I buy Bionet2_000042?
You can request a quote for Bionet2_000042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet2_000042?
Yes, KEHONG BIO provides custom synthesis services for Bionet2_000042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.