Ro 11-3696
TL;DR: Ro 11-3696 (CAS 60174-20-1) is a chemical compound with molecular formula C8H13N3O4 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
Also Known As: Ornidazole Impurity 40, Ro 11-3696, Ro-11-3696, alpha-(Methoxymethyl)-2-methyl-5-nitroimidazole-1-ethanol, 1-methoxy-3-(2-methyl-5-nitro-1h-imidazol-1-yl)propan-2-ol
| Molecular Formula | C8H13N3O4 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.0906 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 60174-20-1 |
|---|---|
| SMILES | CC1=NC=C(N1CC(COC)O)[N+](=O)[O-] |
| InChIKey | APGBOPOUAJNSOX-UHFFFAOYSA-N |
Product Overview
Ro 11-3696 (CAS 60174-20-1), with molecular formula C8H13N3O4 and molecular weight 215.09 g/mol. IUPAC: 1-methoxy-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol.
Chemical Property Profile of Ro 11-3696
Property Insights of Ro 11-3696
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 11-3696. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 11-3696. Following Lipinski's Rule of Five, Ro 11-3696 has 1 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 Ro 11-3696?
The CAS number of Ro 11-3696 is 60174-20-1.
What is the molecular formula of Ro 11-3696?
The molecular formula of Ro 11-3696 is C8H13N3O4.
What is the molecular weight of Ro 11-3696?
The molecular weight of Ro 11-3696 is 215.09 g/mol.
Where can I buy Ro 11-3696?
You can request a quote for Ro 11-3696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 11-3696?
Yes, KEHONG BIO provides custom synthesis services for Ro 11-3696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.