Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester
TL;DR: Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester (CAS 191793-22-3) is a chemical compound with molecular formula C13H20O4 and molecular weight 240.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-oxo-1-(3-oxobutyl)cycloheptane-1-carboxylate
Also Known As: methyl 2-oxo-1-(3-oxobutyl)cycloheptane-1-carboxylate, NCI60_036892, Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester, 1-(3-Oxobutyl)-2-oxocycloheptanecarboxylic acid methyl ester, 2-Oxo-1-(3-oxobutyl)cycloheptanecarboxylic acid methyl ester
| Molecular Formula | C13H20O4 |
|---|---|
| Molecular Weight | 240.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.13615 |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 191793-22-3 |
|---|---|
| SMILES | CC(=O)CCC1(CCCCCC1=O)C(=O)OC |
| InChIKey | KFPSMQRDMYIJAZ-UHFFFAOYSA-N |
Product Overview
Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester (CAS 191793-22-3), with molecular formula C13H20O4 and molecular weight 240.14 g/mol. IUPAC: methyl 2-oxo-1-(3-oxobutyl)cycloheptane-1-carboxylate.
Chemical Property Profile of Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester
Property Insights of Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester. Following Lipinski's Rule of Five, Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester 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 Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester?
The CAS number of Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester is 191793-22-3.
What is the molecular formula of Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester?
The molecular formula of Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester is C13H20O4.
What is the molecular weight of Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester?
The molecular weight of Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester is 240.14 g/mol.
Where can I buy Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester?
You can request a quote for Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.