Ro 31-0313
TL;DR: Ro 31-0313 (CAS 81728-58-7) 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-(4-nitroimidazol-1-yl)-3-(1-oxidopiperidin-1-ium-1-yl)propan-2-ol
Also Known As: Ro 31-0313, Ro-31-0313, KST-1B8752, 1-(4-nitroimidazol-1-yl)-3-(1-oxidopiperidin-1-ium-1-yl)propan-2-ol, 2-Nitro-alpha-piperidinomethyl-1-imidazole ethanol N-oxide
| Molecular Formula | C11H18N4O4 |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.1328 |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 81728-58-7 |
|---|---|
| SMILES | C1CC[N+](CC1)(CC(CN2C=C(N=C2)[N+](=O)[O-])O)[O-] |
| InChIKey | GTBZYCLWYDYBHT-UHFFFAOYSA-N |
Product Overview
Ro 31-0313 (CAS 81728-58-7), with molecular formula C11H18N4O4 and molecular weight 270.13 g/mol. IUPAC: 1-(4-nitroimidazol-1-yl)-3-(1-oxidopiperidin-1-ium-1-yl)propan-2-ol.
Chemical Property Profile of Ro 31-0313
Property Insights of Ro 31-0313
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 31-0313. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 31-0313. Following Lipinski's Rule of Five, Ro 31-0313 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 31-0313?
The CAS number of Ro 31-0313 is 81728-58-7.
What is the molecular formula of Ro 31-0313?
The molecular formula of Ro 31-0313 is C11H18N4O4.
What is the molecular weight of Ro 31-0313?
The molecular weight of Ro 31-0313 is 270.13 g/mol.
Where can I buy Ro 31-0313?
You can request a quote for Ro 31-0313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 31-0313?
Yes, KEHONG BIO provides custom synthesis services for Ro 31-0313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.