Ro 31-0052
TL;DR: Ro 31-0052 (CAS 87002-20-8) is a chemical compound with molecular formula C11H18N4O4 and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-3-ol
Also Known As: Ro 31-0052, 1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-3-ol, Ro-31-0052, 1-Piperidineethanol, 3-hydroxy-alpha-((2-nitro-1H-imidazol-1-yl)methyl)-, 1-piperidineethanol, 3-hydroxy-
| Molecular Formula | C11H18N4O4 |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.1328 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 87002-20-8 |
|---|---|
| SMILES | C1CC(CN(C1)CC(CN2C=CN=C2[N+](=O)[O-])O)O |
| InChIKey | NZLBVURLEKAMKZ-UHFFFAOYSA-N |
Product Overview
Ro 31-0052 (CAS 87002-20-8), with molecular formula C11H18N4O4 and molecular weight 270.13 g/mol. IUPAC: 1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-3-ol.
Chemical Property Profile of Ro 31-0052
Property Insights of Ro 31-0052
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 31-0052. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 31-0052. Following Lipinski's Rule of Five, Ro 31-0052 has 2 hydrogen bond donor(s) and 6 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 31-0052?
The CAS number of Ro 31-0052 is 87002-20-8.
What is the molecular formula of Ro 31-0052?
The molecular formula of Ro 31-0052 is C11H18N4O4.
What is the molecular weight of Ro 31-0052?
The molecular weight of Ro 31-0052 is 270.13 g/mol.
Where can I buy Ro 31-0052?
You can request a quote for Ro 31-0052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 31-0052?
Yes, KEHONG BIO provides custom synthesis services for Ro 31-0052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.