Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester
TL;DR: Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester (CAS 82628-91-9) is a chemical compound with molecular formula C17H15NO7 and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-dihydroxy-2-[3-(4-nitrophenyl)propanoyl]phenyl] acetate
Also Known As: [3,5-dihydroxy-2-[3-(4-nitrophenyl)propanoyl]phenyl] Acetate|1-[2-(Acetyloxy)-4,6-dihydroxyphenyl]-3-(4-nitrophenyl)-1-propanone|ACETIC ACID 3,5-DIHYDROXY-2-(3-(4-NITRO-PHENYL)-PROPIONYL)-PHENYL ESTER|3,5-Dihydroxy-2-[3-(4-nitrophenyl)propanoyl]phenyl acetate|1-(2-(Acetyloxy)-4,6-dihydroxyphenyl)-3-(4-nitrophenyl)-1-propanone|662-920-4|RefChem:551893
| Molecular Formula | C17H15NO7 |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 2.7468 |
| Topological Polar Surface Area | 126.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.08484 |
| Heavy Atoms | 25 |
| Complexity | 827.63513 |
Chemical Identifiers
| CAS Number | 82628-91-9 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC(=C1C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])O)O |
Product Overview
Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester (CAS 82628-91-9), with molecular formula C17H15NO7 and molecular weight 345.08 g/mol. IUPAC: [3,5-dihydroxy-2-[3-(4-nitrophenyl)propanoyl]phenyl] acetate.
Chemical Property Profile of Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester
Property Insights of Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester
The XLogP value of 2.7468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester. The TPSA of 126.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester. Following Lipinski's Rule of Five, Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester has 2 hydrogen bond donor(s) and 7 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 Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester?
The CAS number of Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester is 82628-91-9.
What is the molecular formula of Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester?
The molecular formula of Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester is C17H15NO7.
What is the molecular weight of Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester?
The molecular weight of Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester is 345.08 g/mol.
Where can I buy Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester?
You can request a quote for Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid 3,5-dihydroxy-2-(3-(4-nitro-phenyl)-propionyl)-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.