Dimethyl 2-butanoylbutanedioate
TL;DR: Dimethyl 2-butanoylbutanedioate (CAS 68245-81-8) 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 2-butanoylbutanedioate
Also Known As: Dimethyl 2-butanoylbutanedioate, 1,4-dimethyl 2-butanoylbutanedioate, 2-butyrylsuccinic acid dimethyl ester, 2-Butanoylbutanedioic acid dimethyl ester, J2.772.798K
| Molecular Formula | C10H16O5 |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 0.7079 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.09978 |
| Heavy Atoms | 15 |
| Complexity | 246.1973 |
Chemical Identifiers
| CAS Number | 68245-81-8 |
|---|---|
| SMILES | CCCC(=O)C(CC(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-butanoylbutanedioate (CAS 68245-81-8), with molecular formula C10H16O5 and molecular weight 216.10 g/mol. IUPAC: dimethyl 2-butanoylbutanedioate.
Chemical Property Profile of Dimethyl 2-butanoylbutanedioate
Property Insights of Dimethyl 2-butanoylbutanedioate
The XLogP value of 0.7079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-butanoylbutanedioate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-butanoylbutanedioate. Following Lipinski's Rule of Five, Dimethyl 2-butanoylbutanedioate 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 2-butanoylbutanedioate?
The CAS number of Dimethyl 2-butanoylbutanedioate is 68245-81-8.
What is the molecular formula of Dimethyl 2-butanoylbutanedioate?
The molecular formula of Dimethyl 2-butanoylbutanedioate is C10H16O5.
What is the molecular weight of Dimethyl 2-butanoylbutanedioate?
The molecular weight of Dimethyl 2-butanoylbutanedioate is 216.10 g/mol.
Where can I buy Dimethyl 2-butanoylbutanedioate?
You can request a quote for Dimethyl 2-butanoylbutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-butanoylbutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-butanoylbutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.