L 611744
TL;DR: L 611744 (CAS 58211-94-2) is a chemical compound with molecular formula C13H18N4O3 and molecular weight 278.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole
Also Known As: L 611744, L-611744, L611,744, 3a,4,5,6,7,8,9,9a-Octahydro-3-(1-methyl-5-nitroimidazol-2-yl)cycloocta(d)isoxazole, 3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole
| Molecular Formula | C13H18N4O3 |
|---|---|
| Molecular Weight | 278.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.13788 |
| Heavy Atoms | 20 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 58211-94-2 |
|---|---|
| SMILES | CN1C(=CN=C1C2=NOC3C2CCCCCC3)[N+](=O)[O-] |
| InChIKey | BDOFOUFSNOJTBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
L 611744 (CAS 58211-94-2), with molecular formula C13H18N4O3 and molecular weight 278.14 g/mol. IUPAC: 3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole.
Chemical Property Profile of L 611744
Property Insights of L 611744
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L 611744. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for L 611744. Following Lipinski's Rule of Five, L 611744 has 0 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 L 611744?
The CAS number of L 611744 is 58211-94-2.
What is the molecular formula of L 611744?
The molecular formula of L 611744 is C13H18N4O3.
What is the molecular weight of L 611744?
The molecular weight of L 611744 is 278.14 g/mol.
Where can I buy L 611744?
You can request a quote for L 611744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L 611744?
Yes, KEHONG BIO provides custom synthesis services for L 611744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.