7-硝基苯并(a)蒽-11-基乙酸酯
TL;DR: 7-硝基苯并(a)蒽-11-基乙酸酯 (CAS 119087-36-4) is a chemical compound with molecular formula C20H13NO4 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-硝基苯并(a)蒽-11-基乙酸酯
(7-nitrobenzo[a]anthracen-11-yl) acetate
Also Known As: 7-Nitrobenz(a)anthracen-11-ol acetate (ester), 7-NITROTETRAPHEN-11-YL ACETATE, Benz(a)anthracen-11-ol, 7-nitro-, acetate (ester), (7-nitrobenzo[a]anthracen-11-yl) acetate
| Molecular Formula | C20H13NO4 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.08447 |
| Heavy Atoms | 25 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 119087-36-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC2=C1C=C3C(=C2[N+](=O)[O-])C=CC4=CC=CC=C43 |
| InChIKey | GOUKLISLNDAWJX-UHFFFAOYSA-N |
Product Overview
7-硝基苯并(a)蒽-11-基乙酸酯 (CAS 119087-36-4), with molecular formula C20H13NO4 and molecular weight 331.08 g/mol. IUPAC: (7-nitrobenzo[a]anthracen-11-yl) acetate.
Chemical Property Profile of 7-硝基苯并(a)蒽-11-基乙酸酯
Property Insights of 7-硝基苯并(a)蒽-11-基乙酸酯
The XLogP value of 5.1 indicates that 7-硝基苯并(a)蒽-11-基乙酸酯 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 7-硝基苯并(a)蒽-11-基乙酸酯. Following Lipinski's Rule of Five, 7-硝基苯并(a)蒽-11-基乙酸酯 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 7-硝基苯并(a)蒽-11-基乙酸酯?
The CAS number of 7-硝基苯并(a)蒽-11-基乙酸酯 is 119087-36-4.
What is the molecular formula of 7-硝基苯并(a)蒽-11-基乙酸酯?
The molecular formula of 7-硝基苯并(a)蒽-11-基乙酸酯 is C20H13NO4.
What is the molecular weight of 7-硝基苯并(a)蒽-11-基乙酸酯?
The molecular weight of 7-硝基苯并(a)蒽-11-基乙酸酯 is 331.08 g/mol.
Where can I buy 7-硝基苯并(a)蒽-11-基乙酸酯?
You can request a quote for 7-硝基苯并(a)蒽-11-基乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-硝基苯并(a)蒽-11-基乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 7-硝基苯并(a)蒽-11-基乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.