Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate
TL;DR: Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate (CAS 329932-04-9) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate
Also Known As: methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate, methyl 5-[N-(methylethyl)carbamoyl]-3-nitrobenzoate, METHYL 3-[(ISOPROPYLAMINO)CARBONYL]-5-NITROBENZOATE
| Molecular Formula | C12H14N2O5 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.09027 |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 329932-04-9 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC |
| InChIKey | WFWZWDVRJIAUMS-UHFFFAOYSA-N |
Product Overview
Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate (CAS 329932-04-9), with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol. IUPAC: methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate.
Chemical Property Profile of Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate
Property Insights of Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate has 1 hydrogen bond donor(s) and 5 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-nitro-5-(propan-2-ylcarbamoyl)benzoate?
The CAS number of Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate is 329932-04-9.
What is the molecular formula of Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate?
The molecular formula of Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate is C12H14N2O5.
What is the molecular weight of Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate?
The molecular weight of Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate is 266.09 g/mol.
Where can I buy Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate?
You can request a quote for Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.