![Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate structure](/static/products/1005/1005151-40-5.webp)
Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate
TL;DR: Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate (CAS 1005151-40-5) is a chemical compound with molecular formula C19H21NO5 and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)amino]benzoate
Also Known As: isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate, propan-2-yl 4-{[(2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-yl)carbonyl]amino}benzoate, isopropyl 4-(2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxamido)benzoate, propan-2-yl 4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)amino]benzoate
| Molecular Formula | C19H21NO5 |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 2.3879 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.14197 |
| Heavy Atoms | 25 |
| Complexity | 723.8349 |
Chemical Identifiers
| CAS Number | 1005151-40-5 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2C3CC4C2C(=O)OC4C3 |
Product Overview
Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate (CAS 1005151-40-5), with molecular formula C19H21NO5 and molecular weight 343.14 g/mol. IUPAC: propan-2-yl 4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)amino]benzoate.
Chemical Property Profile of Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate
Property Insights of Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate
The XLogP value of 2.3879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}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 Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate?
The CAS number of Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate is 1005151-40-5.
What is the molecular formula of Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate?
The molecular formula of Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate is C19H21NO5.
What is the molecular weight of Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate?
The molecular weight of Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate is 343.14 g/mol.
Where can I buy Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate?
You can request a quote for Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4-{[(5-oxo-4-oxatricyclo[4.2.1.0~3,7~]non-9-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.