Dimethyl 3-(3-nitrophenyl)pentanedioate
TL;DR: Dimethyl 3-(3-nitrophenyl)pentanedioate (CAS 20676-45-3) is a chemical compound with molecular formula C13H15NO6 and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-(3-nitrophenyl)pentanedioate
Also Known As: dimethyl 3-(3-nitrophenyl)pentanedioate
| Molecular Formula | C13H15NO6 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 281.08994 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 20676-45-3 |
|---|---|
| SMILES | COC(=O)CC(CC(=O)OC)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | PSTWVLGCCIRWRM-UHFFFAOYSA-N |
Product Overview
Dimethyl 3-(3-nitrophenyl)pentanedioate (CAS 20676-45-3), with molecular formula C13H15NO6 and molecular weight 281.09 g/mol. IUPAC: dimethyl 3-(3-nitrophenyl)pentanedioate.
Chemical Property Profile of Dimethyl 3-(3-nitrophenyl)pentanedioate
Property Insights of Dimethyl 3-(3-nitrophenyl)pentanedioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-(3-nitrophenyl)pentanedioate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-(3-nitrophenyl)pentanedioate. Following Lipinski's Rule of Five, Dimethyl 3-(3-nitrophenyl)pentanedioate has 0 hydrogen bond donor(s) and 6 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 Dimethyl 3-(3-nitrophenyl)pentanedioate?
The CAS number of Dimethyl 3-(3-nitrophenyl)pentanedioate is 20676-45-3.
What is the molecular formula of Dimethyl 3-(3-nitrophenyl)pentanedioate?
The molecular formula of Dimethyl 3-(3-nitrophenyl)pentanedioate is C13H15NO6.
What is the molecular weight of Dimethyl 3-(3-nitrophenyl)pentanedioate?
The molecular weight of Dimethyl 3-(3-nitrophenyl)pentanedioate is 281.09 g/mol.
Where can I buy Dimethyl 3-(3-nitrophenyl)pentanedioate?
You can request a quote for Dimethyl 3-(3-nitrophenyl)pentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-(3-nitrophenyl)pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-(3-nitrophenyl)pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.