RS 029
TL;DR: RS 029 (CAS 110230-95-0) is a chemical compound with molecular formula C13H16N6O6 and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
RS 029
1,3-bis(2-methyl-4-nitroimidazol-1-yl)propan-2-yl acetate
Also Known As: 1,3-bis(2-methyl-4-nitroimidazol-1-yl)propan-2-yl acetate, 2-Acetoxy-1,3-bis(2'-methyl-4'-nitro-1'-imidazolyl)propane, 1,3-bis(2-methyl-4-nitro-1H-imidazol-1-yl)propan-2-yl acetate, 1H-Imidazole-1-ethanol, 2-methyl-alpha-((2-methyl-4-nitro-1H-imidazol-1-yl)methyl)-4-nitro-, acetate (ester), RefChem:180051
| Molecular Formula | C13H16N6O6 |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.11313 |
| Heavy Atoms | 25 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 110230-95-0 |
|---|---|
| SMILES | CC1=NC(=CN1CC(CN2C=C(N=C2C)[N+](=O)[O-])OC(=O)C)[N+](=O)[O-] |
| InChIKey | XCOGTTVSYZHWCD-UHFFFAOYSA-N |
Product Overview
RS 029 (CAS 110230-95-0), with molecular formula C13H16N6O6 and molecular weight 352.11 g/mol. IUPAC: 1,3-bis(2-methyl-4-nitroimidazol-1-yl)propan-2-yl acetate.
Chemical Property Profile of RS 029
Property Insights of RS 029
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RS 029. The TPSA of 154.0 Ų indicates high polarity, suggesting RS 029 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RS 029 has 0 hydrogen bond donor(s) and 8 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 RS 029?
The CAS number of RS 029 is 110230-95-0.
What is the molecular formula of RS 029?
The molecular formula of RS 029 is C13H16N6O6.
What is the molecular weight of RS 029?
The molecular weight of RS 029 is 352.11 g/mol.
Where can I buy RS 029?
You can request a quote for RS 029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RS 029?
Yes, KEHONG BIO provides custom synthesis services for RS 029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.