Decyl 4-nitrobenzoate
TL;DR: Decyl 4-nitrobenzoate (CAS 6500-30-7) is a chemical compound with molecular formula C17H25NO4 and molecular weight 307.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 4-nitrobenzoate
Also Known As: Decyl 4-nitrobenzoate, Decyl 4-nitrobenzoate #, 4-Nitrobenzoic acid, decyl ester, 4-NITROPHENYL DECANOATE, 4-Nitrobenzoic acid decyl ester
| Molecular Formula | C17H25NO4 |
|---|---|
| Molecular Weight | 307.18 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 307.17834 |
| Heavy Atoms | 22 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 6500-30-7 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | XRQVVCKJAIGRHJ-UHFFFAOYSA-N |
Product Overview
Decyl 4-nitrobenzoate (CAS 6500-30-7), with molecular formula C17H25NO4 and molecular weight 307.18 g/mol. IUPAC: decyl 4-nitrobenzoate.
Chemical Property Profile of Decyl 4-nitrobenzoate
Property Insights of Decyl 4-nitrobenzoate
The XLogP value of 6.6 indicates that Decyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Decyl 4-nitrobenzoate. Following Lipinski's Rule of Five, Decyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decyl 4-nitrobenzoate?
The CAS number of Decyl 4-nitrobenzoate is 6500-30-7.
What is the molecular formula of Decyl 4-nitrobenzoate?
The molecular formula of Decyl 4-nitrobenzoate is C17H25NO4.
What is the molecular weight of Decyl 4-nitrobenzoate?
The molecular weight of Decyl 4-nitrobenzoate is 307.18 g/mol.
Where can I buy Decyl 4-nitrobenzoate?
You can request a quote for Decyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Decyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.