![Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate structure](/static/products/150/150272-09-6.webp)
Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate
TL;DR: Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate (CAS 150272-09-6) is a chemical compound with molecular formula C12H15N3O8 and molecular weight 329.0859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate
Also Known As: methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate, methyl 5-(N,N-bis(2-hydroxyethyl)amino)-2,4-dinitrobenzoate, methyl 5-[N,N-bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate, benzoic acid, 5-[bis(2-hydroxyethyl)amino]-2,4-dinitro-, methyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15N3O8 |
| Molecular Weight | 329.0859 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.0859 Da |
| Heavy Atoms | 23 |
| Complexity | 429.0 |
| SMILES | COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(CCO)CCO |
| InChIKey | DZCOLSXWMGFINE-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate
Property Insights of Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate. The TPSA of 162.0 Ų indicates high polarity, suggesting Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate?
The CAS number of Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate is 150272-09-6.
What is the molecular formula of Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate?
The molecular formula of Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate is C12H15N3O8.
What is the molecular weight of Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate?
The molecular weight of Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate is 329.0859 g/mol.
Where can I buy Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate?
You can request a quote for Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.