![Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate structure](/static/products/6093/609334-80-7.webp)
Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
TL;DR: Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate (CAS 609334-80-7) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
Also Known As: F1371-0348, VU0003695-2, methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate, methyl 2-((1R,4S)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamido)benzoate, methyl o-(3,3-dimethyl-2-oxo-1-norbornanylcarbonylamino)benzoate
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 2.8071 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 694.0169 |
Chemical Identifiers
| CAS Number | 609334-80-7 |
|---|---|
| SMILES | CC1(C2CCC(C2)(C1=O)C(=O)NC3=CC=CC=C3C(=O)OC)C |
Product Overview
Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate (CAS 609334-80-7), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: methyl 2-[(3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate.
Chemical Property Profile of Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
Property Insights of Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
The XLogP value of 2.8071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate has 1 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 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
The CAS number of Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate is 609334-80-7.
What is the molecular formula of Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
The molecular formula of Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate is C18H21NO4.
What is the molecular weight of Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
The molecular weight of Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate is 315.15 g/mol.
Where can I buy Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
You can request a quote for Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-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 Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.