Dimethyl 3-oxooctanedioate
TL;DR: Dimethyl 3-oxooctanedioate (CAS 87342-98-1) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-oxooctanedioate
Also Known As: Dimethyl 3-oxooctanedioate, 3-oxo-1,8-octanoic acid dimethyl ester
| Molecular Formula | C10H16O5 |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 0.852 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.09978 |
| Heavy Atoms | 15 |
| Complexity | 233.96724 |
Chemical Identifiers
| CAS Number | 87342-98-1 |
|---|---|
| SMILES | COC(=O)CCCCC(=O)CC(=O)OC |
Product Overview
Dimethyl 3-oxooctanedioate (CAS 87342-98-1), with molecular formula C10H16O5 and molecular weight 216.10 g/mol. IUPAC: dimethyl 3-oxooctanedioate.
Chemical Property Profile of Dimethyl 3-oxooctanedioate
Property Insights of Dimethyl 3-oxooctanedioate
The XLogP value of 0.852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-oxooctanedioate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-oxooctanedioate. Following Lipinski's Rule of Five, Dimethyl 3-oxooctanedioate has 0 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 Dimethyl 3-oxooctanedioate?
The CAS number of Dimethyl 3-oxooctanedioate is 87342-98-1.
What is the molecular formula of Dimethyl 3-oxooctanedioate?
The molecular formula of Dimethyl 3-oxooctanedioate is C10H16O5.
What is the molecular weight of Dimethyl 3-oxooctanedioate?
The molecular weight of Dimethyl 3-oxooctanedioate is 216.10 g/mol.
Where can I buy Dimethyl 3-oxooctanedioate?
You can request a quote for Dimethyl 3-oxooctanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-oxooctanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-oxooctanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.