supinine N-氧化物
TL;DR: supinine N-氧化物 (CAS 24351-90-4) is a chemical compound with molecular formula C15H25NO5 and molecular weight 299.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
supinine N-氧化物
[(4R)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Also Known As: Supinine N-oxide, Dibusadol, Supinine, N-oxide, Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, N-oxide, (7aS-(7(2R*,3S*),7aR*))-, (4-Oxo-3,4,5,6,7,7a-hexahydro-4lambda~5~-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
| Molecular Formula | C15H25NO5 |
|---|---|
| Molecular Weight | 299.17 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 84.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.17328 |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 24351-90-4 |
|---|---|
| SMILES | C[C@@H](C(C(C)C)(C(=O)OCC1=CC[N@+]2(C1CCC2)[O-])O)O |
| InChIKey | ZKRKVSLSTMOPAL-SXSDBLRQSA-N |
Product Overview
supinine N-氧化物 (CAS 24351-90-4), with molecular formula C15H25NO5 and molecular weight 299.17 g/mol. IUPAC: [(4R)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate.
Chemical Property Profile of supinine N-氧化物
Property Insights of supinine N-氧化物
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for supinine N-氧化物. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for supinine N-氧化物. Following Lipinski's Rule of Five, supinine N-氧化物 has 2 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 supinine N-氧化物?
The CAS number of supinine N-氧化物 is 24351-90-4.
What is the molecular formula of supinine N-氧化物?
The molecular formula of supinine N-氧化物 is C15H25NO5.
What is the molecular weight of supinine N-氧化物?
The molecular weight of supinine N-氧化物 is 299.17 g/mol.
Where can I buy supinine N-氧化物?
You can request a quote for supinine N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for supinine N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for supinine N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.