Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate
TL;DR: Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate (CAS 89080-61-5) is a chemical compound with molecular formula C17H19NO8 and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate
Also Known As: Lercanidipine Impurity 39, Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate, Pentanedioic acid, 2,4-diacetyl-3-(3-nitrophenyl)-, dimethyl ester, dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentane-1,5-dioate, 3,5-bis(methoxycarbonyl)-4-(3-nitrophenyl)-2,6-heptanedione
| Molecular Formula | C17H19NO8 |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 1.4348 |
| Topological Polar Surface Area | 129.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.11105 |
| Heavy Atoms | 26 |
| Complexity | 708.0333 |
Chemical Identifiers
| CAS Number | 89080-61-5 |
|---|---|
| SMILES | CC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])C(C(=O)C)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate (CAS 89080-61-5), with molecular formula C17H19NO8 and molecular weight 365.11 g/mol. IUPAC: dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate.
Chemical Property Profile of Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate
Property Insights of Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate
The XLogP value of 1.4348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate. The TPSA of 129.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate. Following Lipinski's Rule of Five, Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate has 0 hydrogen bond donor(s) and 8 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 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate?
The CAS number of Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate is 89080-61-5.
What is the molecular formula of Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate?
The molecular formula of Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate is C17H19NO8.
What is the molecular weight of Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate?
The molecular weight of Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate is 365.11 g/mol.
Where can I buy Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate?
You can request a quote for Dimethyl 2,4-diacetyl-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 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.