1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole
TL;DR: 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole (CAS 312936-77-9) is a chemical compound with molecular formula C11H11BrN2OS and molecular weight 297.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methyl]-4-(hydroxymethyl)-1H-imidazole-2-thione
Also Known As: 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole, MYVCBVMUMOQADS-UHFFFAOYSA, MYVCBVMUMOQADS-UHFFFAOYSA-, 3-[(4-bromophenyl)methyl]-4-(hydroxymethyl)-1H-imidazole-2-thione, 2H-IMIDAZOLE-2-THIONE, 1-[(4-BROMOPHENYL)METHYL]-1,3-DIHYDRO-5-(HYDROXYMETHYL)-
| Molecular Formula | C11H11BrN2OS |
|---|---|
| Molecular Weight | 297.98 g/mol |
| LogP | 2.84879 |
| Topological Polar Surface Area | 40.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.97754 |
| Heavy Atoms | 16 |
| Complexity | 529.6627 |
Chemical Identifiers
| CAS Number | 312936-77-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=CNC2=S)CO)Br |
Product Overview
1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole (CAS 312936-77-9), with molecular formula C11H11BrN2OS and molecular weight 297.98 g/mol. IUPAC: 3-[(4-bromophenyl)methyl]-4-(hydroxymethyl)-1H-imidazole-2-thione.
Chemical Property Profile of 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole
Property Insights of 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole
The XLogP value of 2.84879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole. With a topological polar surface area (TPSA) of 40.95 Ų, 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole has 2 hydrogen bond donor(s) and 2 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 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole?
The CAS number of 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole is 312936-77-9.
What is the molecular formula of 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole?
The molecular formula of 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole is C11H11BrN2OS.
What is the molecular weight of 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole?
The molecular weight of 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole is 297.98 g/mol.
Where can I buy 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole?
You can request a quote for 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-BroMobenzyl)-2-Mercapto-5-hydroxymethyliMidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.