Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate
TL;DR: Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate (CAS 708221-87-8) is a chemical compound with molecular formula C16H12N2O7 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate
Also Known As: methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate, methyl 3-(benzo[d][1,3]dioxol-5-ylcarbamoyl)-5-nitrobenzoate, METHYL 3-[(1,3-BENZODIOXOL-5-YLAMINO)CARBONYL]-5-NITROBENZOATE, methyl 5-(N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)carbamoyl)-3-nitrobenzoate
| Molecular Formula | C16H12N2O7 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 2.3624 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.06445 |
| Heavy Atoms | 25 |
| Complexity | 878.7821 |
Chemical Identifiers
| CAS Number | 708221-87-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] |
Product Overview
Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate (CAS 708221-87-8), with molecular formula C16H12N2O7 and molecular weight 344.06 g/mol. IUPAC: methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate
Property Insights of Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate
The XLogP value of 2.3624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate has 1 hydrogen bond donor(s) and 7 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-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate?
The CAS number of Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate is 708221-87-8.
What is the molecular formula of Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate?
The molecular formula of Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate is C16H12N2O7.
What is the molecular weight of Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate?
The molecular weight of Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate is 344.06 g/mol.
Where can I buy Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate?
You can request a quote for Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-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-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.