![Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate structure](/static/products/3490/349085-32-1.webp)
Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate
TL;DR: Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate (CAS 349085-32-1) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-5-[(4-propan-2-ylphenyl)carbamoyl]benzoate
Also Known As: BIM-0012514.P001, methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate, methyl 3-((4-isopropylphenyl)carbamoyl)-5-nitrobenzoate, methyl 3-nitro-5-[(4-propan-2-ylphenyl)carbamoyl]benzoate, METHYL 3-[(4-ISOPROPYLANILINO)CARBONYL]-5-NITROBENZOATE
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 3.7571 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 812.7162 |
Chemical Identifiers
| CAS Number | 349085-32-1 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate (CAS 349085-32-1), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: methyl 3-nitro-5-[(4-propan-2-ylphenyl)carbamoyl]benzoate.
Chemical Property Profile of Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate
Property Insights of Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate
The XLogP value of 3.7571 indicates that Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate. Following Lipinski's Rule of Five, Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}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-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate?
The CAS number of Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate is 349085-32-1.
What is the molecular formula of Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate?
The molecular formula of Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate is C18H18N2O5.
What is the molecular weight of Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate?
The molecular weight of Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate is 342.12 g/mol.
Where can I buy Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate?
You can request a quote for Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}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-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.