Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)-
TL;DR: Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)- (CAS 138668-21-0) is a chemical compound with molecular formula C9H17NO5 and molecular weight 219.11067 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (6S,7R)-7-hydroxy-6-nitrooctanoate
Also Known As: methyl (6S,7R)-7-hydroxy-6-nitrooctanoate, Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)-
Technical Specifications
| Molecular Formula | C9H17NO5 |
| Molecular Weight | 219.11067 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 219.11067 Da |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
| SMILES | C[C@H]([C@H](CCCCC(=O)OC)[N+](=O)[O-])O |
| InChIKey | LDLIOHSXMDCWJX-SFYZADRCSA-N |
Chemical Property Profile of Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)-
Property Insights of Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)-. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)-. Following Lipinski's Rule of Five, Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)- 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
What is the CAS number of Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)-?
The CAS number of Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)- is 138668-21-0.
What is the molecular formula of Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)-?
The molecular formula of Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)- is C9H17NO5.
What is the molecular weight of Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)-?
The molecular weight of Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)- is 219.11067 g/mol.
Where can I buy Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)-?
You can request a quote for Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)-?
Yes, CoreyChem provides custom synthesis services for Octanoic acid, 7-hydroxy-6-nitro-, methyl ester, (R*,S*)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.