![3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid structure](/static/products/764/7641-52-3.png)
3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid
TL;DR: 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid (CAS 7641-52-3) is a chemical compound with molecular formula C12H18O5 and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid
Also Known As: BAS 01256523, 3,3'-(2-oxo-cyclohexylidene)-di-propionic acid, 3-[1-(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid, 3-[1-(2-Carboxy-ethyl)-2-oxo-cyclohexyl]-propionic acid
| Molecular Formula | C12H18O5 |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.11542 |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 7641-52-3 |
|---|---|
| SMILES | C1CCC(C(=O)C1)(CCC(=O)O)CCC(=O)O |
| InChIKey | JJECBKSUNXLESC-UHFFFAOYSA-N |
Product Overview
3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid (CAS 7641-52-3), with molecular formula C12H18O5 and molecular weight 242.12 g/mol. IUPAC: 3-[1-(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid.
Chemical Property Profile of 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid
Property Insights of 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid. Following Lipinski's Rule of Five, 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid has 2 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 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid?
The CAS number of 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid is 7641-52-3.
What is the molecular formula of 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid?
The molecular formula of 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid is C12H18O5.
What is the molecular weight of 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid?
The molecular weight of 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid is 242.12 g/mol.
Where can I buy 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid?
You can request a quote for 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(2-Carboxyethyl)-2-oxocyclohexyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.