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Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate
TL;DR: Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate (CAS 328284-55-5) is a chemical compound with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-methoxypropylcarbamoyl)-5-nitrobenzoate
Also Known As: methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate, BIM-0029813.P001, methyl 3-(3-methoxypropylcarbamoyl)-5-nitrobenzoate, methyl 3-((3-methoxypropyl)carbamoyl)-5-nitrobenzoate, methyl 5-[N-(3-methoxypropyl)carbamoyl]-3-nitrobenzoate
| Molecular Formula | C13H16N2O6 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 1.1477 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.10083 |
| Heavy Atoms | 21 |
| Complexity | 543.4631 |
Chemical Identifiers
| CAS Number | 328284-55-5 |
|---|---|
| SMILES | COCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate (CAS 328284-55-5), with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol. IUPAC: methyl 3-(3-methoxypropylcarbamoyl)-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate
Property Insights of Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate
The XLogP value of 1.1477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate has 1 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 Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate?
The CAS number of Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate is 328284-55-5.
What is the molecular formula of Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate?
The molecular formula of Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate is C13H16N2O6.
What is the molecular weight of Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate?
The molecular weight of Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate is 296.10 g/mol.
Where can I buy Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate?
You can request a quote for Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.