![6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid structure](/static/products/438/438464-10-9.png)
6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
TL;DR: 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid (CAS 438464-10-9) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 6-{[(5-methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid, 3-Cyclohexene-1-carboxylicacid,6-[[ amino]carbonyl]-, 6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, 3-Cyclohexene-1-carboxylic acid, 6-[[(5-methyl-3-isoxazolyl)amino]carbonyl]-, Cambridge id 7235770
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 1.58852 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 492.0218 |
Chemical Identifiers
| CAS Number | 438464-10-9 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2CC=CCC2C(=O)O |
Product Overview
6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid (CAS 438464-10-9), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: 6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
Property Insights of 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
The XLogP value of 1.58852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid has 2 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 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid?
The CAS number of 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid is 438464-10-9.
What is the molecular formula of 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid?
The molecular formula of 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid is C12H14N2O4.
What is the molecular weight of 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid?
The molecular weight of 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid is 250.10 g/mol.
Where can I buy 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid?
You can request a quote for 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.