Dimethyl 4,4-dinitroheptanedioate
TL;DR: Dimethyl 4,4-dinitroheptanedioate (CAS 177-04-8) is a chemical compound with molecular formula C9H14N2O8 and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4,4-dinitroheptanedioate
Also Known As: dimethyl 4,4-dinitroheptanedioate, Ex304, DIMETHYL 4,4-DINITROPIMELATE, 1,7-dimethyl 4,4-dinitroheptanedioate, 4,4-Dinitroheptane-dioic acid dimethyl-ester
| Molecular Formula | C9H14N2O8 |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.075 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 177-04-8 |
|---|---|
| SMILES | COC(=O)CCC(CCC(=O)OC)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HOIDOAUGWVNMMM-UHFFFAOYSA-N |
Product Overview
Dimethyl 4,4-dinitroheptanedioate (CAS 177-04-8), with molecular formula C9H14N2O8 and molecular weight 278.07 g/mol. IUPAC: dimethyl 4,4-dinitroheptanedioate.
Chemical Property Profile of Dimethyl 4,4-dinitroheptanedioate
Property Insights of Dimethyl 4,4-dinitroheptanedioate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4,4-dinitroheptanedioate. The TPSA of 144.0 Ų indicates high polarity, suggesting Dimethyl 4,4-dinitroheptanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 4,4-dinitroheptanedioate 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 4,4-dinitroheptanedioate?
The CAS number of Dimethyl 4,4-dinitroheptanedioate is 177-04-8.
What is the molecular formula of Dimethyl 4,4-dinitroheptanedioate?
The molecular formula of Dimethyl 4,4-dinitroheptanedioate is C9H14N2O8.
What is the molecular weight of Dimethyl 4,4-dinitroheptanedioate?
The molecular weight of Dimethyl 4,4-dinitroheptanedioate is 278.07 g/mol.
Where can I buy Dimethyl 4,4-dinitroheptanedioate?
You can request a quote for Dimethyl 4,4-dinitroheptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4,4-dinitroheptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4,4-dinitroheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.