3-Nitrophenyl heptanoate
TL;DR: 3-Nitrophenyl heptanoate (CAS 56052-18-7) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl) heptanoate
Also Known As: 3-Nitrophenyl heptanoate, Heptanoicacidm-nitrophenylester, (3-nitrophenyl) heptanoate, 3-Nitrophenyl heptanoate #, Heptanoic acid, 3-nitrophenyl ester
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 56052-18-7 |
|---|---|
| SMILES | CCCCCCC(=O)OC1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | AADGXNADXAEBPP-UHFFFAOYSA-N |
Product Overview
3-Nitrophenyl heptanoate (CAS 56052-18-7), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: (3-nitrophenyl) heptanoate.
Chemical Property Profile of 3-Nitrophenyl heptanoate
Property Insights of 3-Nitrophenyl heptanoate
The XLogP value of 4.3 indicates that 3-Nitrophenyl heptanoate 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 3-Nitrophenyl heptanoate. Following Lipinski's Rule of Five, 3-Nitrophenyl heptanoate 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 3-Nitrophenyl heptanoate?
The CAS number of 3-Nitrophenyl heptanoate is 56052-18-7.
What is the molecular formula of 3-Nitrophenyl heptanoate?
The molecular formula of 3-Nitrophenyl heptanoate is C13H17NO4.
What is the molecular weight of 3-Nitrophenyl heptanoate?
The molecular weight of 3-Nitrophenyl heptanoate is 251.12 g/mol.
Where can I buy 3-Nitrophenyl heptanoate?
You can request a quote for 3-Nitrophenyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophenyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophenyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.