![{1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol structure](/static/products/4780/478049-30-8.webp)
{1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol
TL;DR: {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol (CAS 478049-30-8) is a chemical compound with molecular formula C12H13N3O5S and molecular weight 311.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-2-[(4-nitrophenyl)methylsulfonyl]imidazol-4-yl]methanol
Also Known As: {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol, [3-methyl-2-[(4-nitrophenyl)methylsulfonyl]imidazol-4-yl]methanol, {1-methyl-2-[(4-nitrophenyl)methanesulfonyl]-1H-imidazol-5-yl}methanol, (1-METHYL-2-[(4-NITROBENZYL)SULFONYL]-1H-IMIDAZOL-5-YL)METHANOL
| Molecular Formula | C12H13N3O5S |
|---|---|
| Molecular Weight | 311.06 g/mol |
| LogP | 0.7945 |
| Topological Polar Surface Area | 115.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.0576 |
| Heavy Atoms | 21 |
| Complexity | 764.6906 |
Chemical Identifiers
| CAS Number | 478049-30-8 |
|---|---|
| SMILES | CN1C(=CN=C1S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])CO |
Product Overview
{1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol (CAS 478049-30-8), with molecular formula C12H13N3O5S and molecular weight 311.06 g/mol. IUPAC: [3-methyl-2-[(4-nitrophenyl)methylsulfonyl]imidazol-4-yl]methanol.
Chemical Property Profile of {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol
Property Insights of {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol
The XLogP value of 0.7945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol. The TPSA of 115.33 Ų falls within the moderate polarity range, balancing permeability and solubility for {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol. Following Lipinski's Rule of Five, {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol has 1 hydrogen bond donor(s) and 6 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)sulfonyl]-1H-imidazol-5-yl}methanol?
The CAS number of {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol is 478049-30-8.
What is the molecular formula of {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol?
The molecular formula of {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol is C12H13N3O5S.
What is the molecular weight of {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol?
The molecular weight of {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol is 311.06 g/mol.
Where can I buy {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol?
You can request a quote for {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-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)sulfonyl]-1H-imidazol-5-yl}methanol?
Yes, KEHONG BIO provides custom synthesis services for {1-methyl-2-[(4-nitrobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.