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4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde
TL;DR: 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde (CAS 311322-41-5) is a chemical compound with molecular formula C11H9N3O3S and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-methylimidazol-2-yl)sulfanyl-3-nitrobenzaldehyde
Also Known As: 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde, 4-(1-Methyl-1H-imidazol-2-ylsulfanyl)-3-nitro-benzaldehyde, 4-(1-methylimidazol-2-yl)sulfanyl-3-nitrobenzaldehyde, 4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzaldehyde, REGID_for_CID_684607
| Molecular Formula | C11H9N3O3S |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.03647 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 311322-41-5 |
|---|---|
| SMILES | CN1C=CN=C1SC2=C(C=C(C=C2)C=O)[N+](=O)[O-] |
| InChIKey | UURVCBPJISXKEZ-UHFFFAOYSA-N |
Product Overview
4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde (CAS 311322-41-5), with molecular formula C11H9N3O3S and molecular weight 263.04 g/mol. IUPAC: 4-(1-methylimidazol-2-yl)sulfanyl-3-nitrobenzaldehyde.
Chemical Property Profile of 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde
Property Insights of 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde has 0 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 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde?
The CAS number of 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde is 311322-41-5.
What is the molecular formula of 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde?
The molecular formula of 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde is C11H9N3O3S.
What is the molecular weight of 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde?
The molecular weight of 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde is 263.04 g/mol.
Where can I buy 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde?
You can request a quote for 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.