Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate
TL;DR: Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate (CAS 32777-10-9) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(4-nitrophenyl)bicyclo[4.1.0]hepta-2,4-diene-7-carboxylate
Also Known As: Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate, methyl 7-(4-nitrophenyl)bicyclo[4.1.0]hepta-2,4-diene-7-carboxylate, RefChem:356381
| Molecular Formula | C15H13NO4 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.08447 |
| Heavy Atoms | 20 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 32777-10-9 |
|---|---|
| SMILES | COC(=O)C1(C2C1C=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | JHCAALNYMCSOLH-UHFFFAOYSA-N |
Product Overview
Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate (CAS 32777-10-9), with molecular formula C15H13NO4 and molecular weight 271.08 g/mol. IUPAC: methyl 7-(4-nitrophenyl)bicyclo[4.1.0]hepta-2,4-diene-7-carboxylate.
Chemical Property Profile of Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate
Property Insights of Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate. Following Lipinski's Rule of Five, Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate has 0 hydrogen bond donor(s) and 4 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 7-(4-nitrophenyl)norcaradiene-7-carboxylate?
The CAS number of Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate is 32777-10-9.
What is the molecular formula of Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate?
The molecular formula of Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate is C15H13NO4.
What is the molecular weight of Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate?
The molecular weight of Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate is 271.08 g/mol.
Where can I buy Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate?
You can request a quote for Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.