RefChem:265945
TL;DR: RefChem:265945 (CAS 115906-44-0) is a chemical compound with molecular formula C20H28N4O7S and molecular weight 468.16788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-3-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxyphenyl)methyl]imidazol-4-yl]sulfanylpropan-2-ol
Also Known As: 2-Propanol, 1-methoxy-3-((2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-1H-imidazol-5-yl)thio)-, 1-Methoxy-3-[(2-methyl-4-nitro-1-{[3-nitro-4-(pentyloxy)phenyl]methyl}-1H-imidazol-5-yl)sulfanyl]propan-2-ol, 1-methoxy-3-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxyphenyl)methyl]imidazol-4-yl]sulfanylpropan-2-ol, BRN 5675566
Technical Specifications
| Molecular Formula | C20H28N4O7S |
| Molecular Weight | 468.16788 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 468.16788 Da |
| Heavy Atoms | 32 |
| Complexity | 591.0 |
| SMILES | CCCCCOC1=C(C=C(C=C1)CN2C(=NC(=C2SCC(COC)O)[N+](=O)[O-])C)[N+](=O)[O-] |
| InChIKey | AWUCRYUMMCHQFI-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:265945
Property Insights of RefChem:265945
The XLogP value of 3.8 indicates that RefChem:265945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting RefChem:265945 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:265945 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:265945?
The CAS number of RefChem:265945 is 115906-44-0.
What is the molecular formula of RefChem:265945?
The molecular formula of RefChem:265945 is C20H28N4O7S.
What is the molecular weight of RefChem:265945?
The molecular weight of RefChem:265945 is 468.16788 g/mol.
Where can I buy RefChem:265945?
You can request a quote for RefChem:265945 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:265945?
Yes, CoreyChem provides custom synthesis services for RefChem:265945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.