2-Nitrophenyl laurate
TL;DR: 2-Nitrophenyl laurate (CAS 2639-52-3) is a chemical compound with molecular formula C18H27NO4 and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl) dodecanoate
Also Known As: 2-Nitrophenyl laurate, (2-nitrophenyl) Dodecanoate, nitrophenyl laurate, 2-nitrophenyl dodecanoate, O-NITROPHENYL LAURATE
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 5.4211 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 487.66486 |
Chemical Identifiers
| CAS Number | 2639-52-3 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
2-Nitrophenyl laurate (CAS 2639-52-3), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: (2-nitrophenyl) dodecanoate.
Chemical Property Profile of 2-Nitrophenyl laurate
Property Insights of 2-Nitrophenyl laurate
The XLogP value of 5.4211 indicates that 2-Nitrophenyl laurate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenyl laurate. Following Lipinski's Rule of Five, 2-Nitrophenyl laurate 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 2-Nitrophenyl laurate?
The CAS number of 2-Nitrophenyl laurate is 2639-52-3.
What is the molecular formula of 2-Nitrophenyl laurate?
The molecular formula of 2-Nitrophenyl laurate is C18H27NO4.
What is the molecular weight of 2-Nitrophenyl laurate?
The molecular weight of 2-Nitrophenyl laurate is 321.19 g/mol.
Where can I buy 2-Nitrophenyl laurate?
You can request a quote for 2-Nitrophenyl laurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl laurate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl laurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.