RefChem:293699
TL;DR: RefChem:293699 (CAS 21787-36-0) is a chemical compound with molecular formula C15H17N3O6 and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
Also Known As: 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 1-methyl-4-piperidyl ester, 5-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid 1-methyl-4-piperidyl ester, 3,3',4,4',5,5',6,6'-octahydro-2,2'-bipyrimidine, (1-methylpiperidin-4-yl) 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate, 1-METHYLPIPERIDIN-4-YL 5-METHYL-3-(5-NITROFURAN-2-YL)-1,2-OXAZOLE-4-CARBOXYLATE
| Molecular Formula | C15H17N3O6 |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.11172 |
| Heavy Atoms | 24 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 21787-36-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC3CCN(CC3)C |
| InChIKey | VTMTVCHHVCVAQT-UHFFFAOYSA-N |
Product Overview
RefChem:293699 (CAS 21787-36-0), with molecular formula C15H17N3O6 and molecular weight 335.11 g/mol. IUPAC: (1-methylpiperidin-4-yl) 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of RefChem:293699
Property Insights of RefChem:293699
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:293699. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:293699. Following Lipinski's Rule of Five, RefChem:293699 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 RefChem:293699?
The CAS number of RefChem:293699 is 21787-36-0.
What is the molecular formula of RefChem:293699?
The molecular formula of RefChem:293699 is C15H17N3O6.
What is the molecular weight of RefChem:293699?
The molecular weight of RefChem:293699 is 335.11 g/mol.
Where can I buy RefChem:293699?
You can request a quote for RefChem:293699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:293699?
Yes, KEHONG BIO provides custom synthesis services for RefChem:293699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.