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2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole
TL;DR: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole (CAS 347341-48-4) is a chemical compound with molecular formula C14H13N5O2S and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole
Also Known As: 2-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-5-NITRO-1H-1,3-BENZODIAZOLE, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole, 4,6-dimethyl-2-[(6-nitrobenzimidazol-2-yl)methylthio]pyrimidine, Benzimidazole, 2-(4,6-dimethyl-2-pyrimidylthiomethyl)-5-nitro-, 2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-6-nitro-1H-benzimidazole
| Molecular Formula | C14H13N5O2S |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.079 |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 347341-48-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C |
| InChIKey | VOLMITBBTHYMNC-UHFFFAOYSA-N |
Product Overview
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole (CAS 347341-48-4), with molecular formula C14H13N5O2S and molecular weight 315.08 g/mol. IUPAC: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole.
Chemical Property Profile of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole
Property Insights of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole
The XLogP value of 3.2 indicates that 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole. Following Lipinski's Rule of Five, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole 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 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole?
The CAS number of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole is 347341-48-4.
What is the molecular formula of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole?
The molecular formula of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole is C14H13N5O2S.
What is the molecular weight of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole?
The molecular weight of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole is 315.08 g/mol.
Where can I buy 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole?
You can request a quote for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.