RefChem:265943
TL;DR: RefChem:265943 (CAS 115906-40-6) is a chemical compound with molecular formula C16H20N4O7S and molecular weight 412.10526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-3-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylpropan-2-ol
Also Known As: BAS 00327558, 2-Propanol, 1-methoxy-3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-, 1-[(4-nitro-1-{[3-nitro-4-(methyloxy)phenyl]methyl}-2-methyl-1H-imidazol-5-yl)sulfanyl]-3-(methyloxy)propan-2-ol, 1-Methoxy-3-({1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazol-5-yl}sulfanyl)propan-2-ol, 1-Methoxy-3-[3-(4-methoxy-3-nitro-benzyl)-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl]-propan-2-ol
Technical Specifications
| Molecular Formula | C16H20N4O7S |
| Molecular Weight | 412.10526 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.10526 Da |
| Heavy Atoms | 28 |
| Complexity | 532.0 |
| SMILES | CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC(COC)O)[N+](=O)[O-] |
| InChIKey | YXOKNBXJOFBQLA-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:265943
Property Insights of RefChem:265943
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:265943. The TPSA of 173.0 Ų indicates high polarity, suggesting RefChem:265943 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:265943 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:265943?
The CAS number of RefChem:265943 is 115906-40-6.
What is the molecular formula of RefChem:265943?
The molecular formula of RefChem:265943 is C16H20N4O7S.
What is the molecular weight of RefChem:265943?
The molecular weight of RefChem:265943 is 412.10526 g/mol.
Where can I buy RefChem:265943?
You can request a quote for RefChem:265943 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:265943?
Yes, CoreyChem provides custom synthesis services for RefChem:265943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.