1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol
TL;DR: 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol (CAS 115906-45-1) is a chemical compound with molecular formula C7H10ClN3O3S and molecular weight 251.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propan-2-ol
Also Known As: BAS 00327534, 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol, 1-chloro-3-[(2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]propan-2-ol, 1-chloro-3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)propan-2-ol, 1-chloro-3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propan-2-ol
| Molecular Formula | C7H10ClN3O3S |
|---|---|
| Molecular Weight | 251.01 g/mol |
| LogP | 1.31812 |
| Topological Polar Surface Area | 92.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.01314 |
| Heavy Atoms | 15 |
| Complexity | 357.24966 |
Chemical Identifiers
| CAS Number | 115906-45-1 |
|---|---|
| SMILES | CC1=NC(=C(N1)[N+](=O)[O-])SCC(CCl)O |
Product Overview
1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol (CAS 115906-45-1), with molecular formula C7H10ClN3O3S and molecular weight 251.01 g/mol. IUPAC: 1-chloro-3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propan-2-ol.
Chemical Property Profile of 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol
Property Insights of 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol
The XLogP value of 1.31812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol. The TPSA of 92.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol. Following Lipinski's Rule of Five, 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol has 2 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-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol?
The CAS number of 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol is 115906-45-1.
What is the molecular formula of 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol?
The molecular formula of 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol is C7H10ClN3O3S.
What is the molecular weight of 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol?
The molecular weight of 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol is 251.01 g/mol.
Where can I buy 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol?
You can request a quote for 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-(2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.