Methyl (E)-6-nitro-6-octenoate
TL;DR: Methyl (E)-6-nitro-6-octenoate (CAS 138668-09-4) is a chemical compound with molecular formula C9H15NO4 and molecular weight 201.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-6-nitrooct-6-enoate
Also Known As: Methyl (E)-6-nitro-6-octenoate, methyl (E)-6-nitrooct-6-enoate, methyl (6E)-6-nitrooct-6-enoate, 6-Octenoic acid, 6-nitro-, methyl ester, (E)-, (E)-6-Nitro-6-octenoic acid methyl ester
| Molecular Formula | C9H15NO4 |
|---|---|
| Molecular Weight | 201.10 g/mol |
| LogP | 1.9003 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 201.10011 |
| Heavy Atoms | 14 |
| Complexity | 234.96645 |
Chemical Identifiers
| CAS Number | 138668-09-4 |
|---|---|
| SMILES | C/C=C(\CCCCC(=O)OC)/[N+](=O)[O-] |
Product Overview
Methyl (E)-6-nitro-6-octenoate (CAS 138668-09-4), with molecular formula C9H15NO4 and molecular weight 201.10 g/mol. IUPAC: methyl (E)-6-nitrooct-6-enoate.
Chemical Property Profile of Methyl (E)-6-nitro-6-octenoate
Property Insights of Methyl (E)-6-nitro-6-octenoate
The XLogP value of 1.9003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (E)-6-nitro-6-octenoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (E)-6-nitro-6-octenoate. Following Lipinski's Rule of Five, Methyl (E)-6-nitro-6-octenoate has 0 hydrogen bond donor(s) and 4 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 Methyl (E)-6-nitro-6-octenoate?
The CAS number of Methyl (E)-6-nitro-6-octenoate is 138668-09-4.
What is the molecular formula of Methyl (E)-6-nitro-6-octenoate?
The molecular formula of Methyl (E)-6-nitro-6-octenoate is C9H15NO4.
What is the molecular weight of Methyl (E)-6-nitro-6-octenoate?
The molecular weight of Methyl (E)-6-nitro-6-octenoate is 201.10 g/mol.
Where can I buy Methyl (E)-6-nitro-6-octenoate?
You can request a quote for Methyl (E)-6-nitro-6-octenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (E)-6-nitro-6-octenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (E)-6-nitro-6-octenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.