3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid
TL;DR: 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid (CAS 30713-86-1) is a chemical compound with molecular formula C25H39NO5 and molecular weight 433.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hexadecoxy-3-nitrophenyl)prop-2-enoic acid
Also Known As: 5-Thiazolecarboxylicacid,2-butyl, 4-(HEXADECYLOXY)-3-NITROCINNAMIC ACID, 3-(4-(Hexadecyloxy)-3-nitrophenyl)acrylic acid, 3-(4-hexadecoxy-3-nitrophenyl)prop-2-enoic acid, 3-(4-hexadecoxy-3-nitro-phenyl)prop-2-enoic Acid
| Molecular Formula | C25H39NO5 |
|---|---|
| Molecular Weight | 433.28 g/mol |
| LogP | 7.5527 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 433.28284 |
| Heavy Atoms | 31 |
| Complexity | 671.8762 |
Chemical Identifiers
| CAS Number | 30713-86-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC(=O)O)[N+](=O)[O-] |
Product Overview
3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid (CAS 30713-86-1), with molecular formula C25H39NO5 and molecular weight 433.28 g/mol. IUPAC: 3-(4-hexadecoxy-3-nitrophenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid
Property Insights of 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid
The XLogP value of 7.5527 indicates that 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid has 1 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 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid?
The CAS number of 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid is 30713-86-1.
What is the molecular formula of 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid?
The molecular formula of 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid is C25H39NO5.
What is the molecular weight of 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid?
The molecular weight of 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid is 433.28 g/mol.
Where can I buy 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid?
You can request a quote for 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Hexadecoxy-3-nitrophenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.