![{1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol structure](/static/products/4780/478031-87-7.webp)
{1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol
TL;DR: {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol (CAS 478031-87-7) is a chemical compound with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-2-[(4-nitrophenyl)methylsulfanyl]imidazol-4-yl]methanol
Also Known As: {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol, (1-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-1H-imidazol-5-yl)methanol, [3-methyl-2-[(4-nitrophenyl)methylsulfanyl]imidazol-4-yl]methanol
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 2.1129 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 580.4056 |
Chemical Identifiers
| CAS Number | 478031-87-7 |
|---|---|
| SMILES | CN1C(=CN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CO |
Product Overview
{1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol (CAS 478031-87-7), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: [3-methyl-2-[(4-nitrophenyl)methylsulfanyl]imidazol-4-yl]methanol.
Chemical Property Profile of {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol
Property Insights of {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol
The XLogP value of 2.1129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol. Following Lipinski's Rule of Five, {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol has 1 hydrogen bond donor(s) and 5 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-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol?
The CAS number of {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol is 478031-87-7.
What is the molecular formula of {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol?
The molecular formula of {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol is C12H13N3O3S.
What is the molecular weight of {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol?
The molecular weight of {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol is 279.07 g/mol.
Where can I buy {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol?
You can request a quote for {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol?
Yes, KEHONG BIO provides custom synthesis services for {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.