Hexyl 3-nitrophthalate
TL;DR: Hexyl 3-nitrophthalate (CAS 56147-11-6) is a chemical compound with molecular formula C14H17NO6 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexoxycarbonyl-6-nitrobenzoic acid
Also Known As: HEXYL 3-NITROPHTHALATE, 2-hexoxycarbonyl-6-nitrobenzoic acid, 2-hexoxycarbonyl-6-nitro-benzoic Acid, 666-747-5, RefChem:788278
| Molecular Formula | C14H17NO6 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 3.0301 |
| Topological Polar Surface Area | 106.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 295.1056 |
| Heavy Atoms | 21 |
| Complexity | 540.2658 |
Chemical Identifiers
| CAS Number | 56147-11-6 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O |
Product Overview
Hexyl 3-nitrophthalate (CAS 56147-11-6), with molecular formula C14H17NO6 and molecular weight 295.11 g/mol. IUPAC: 2-hexoxycarbonyl-6-nitrobenzoic acid.
Chemical Property Profile of Hexyl 3-nitrophthalate
Property Insights of Hexyl 3-nitrophthalate
The XLogP value of 3.0301 indicates that Hexyl 3-nitrophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexyl 3-nitrophthalate. Following Lipinski's Rule of Five, Hexyl 3-nitrophthalate 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
Frequently Asked Questions
What is the CAS number of Hexyl 3-nitrophthalate?
The CAS number of Hexyl 3-nitrophthalate is 56147-11-6.
What is the molecular formula of Hexyl 3-nitrophthalate?
The molecular formula of Hexyl 3-nitrophthalate is C14H17NO6.
What is the molecular weight of Hexyl 3-nitrophthalate?
The molecular weight of Hexyl 3-nitrophthalate is 295.11 g/mol.
Where can I buy Hexyl 3-nitrophthalate?
You can request a quote for Hexyl 3-nitrophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 3-nitrophthalate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 3-nitrophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.