2,2'- diaceticaciddimethylester
TL;DR: 2,2'- diaceticaciddimethylester (CAS 61141-93-3) is a chemical compound with molecular formula C12H16O8 and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3,6-dimethoxy-5-(2-methoxy-2-oxoethylidene)-1,4-dioxan-2-ylidene]acetate
Also Known As: 2,2'- diaceticaciddimethylester, 2,2'-(3,6-Dimethoxy-1,4-dioxane-2,5-diylidene)diacetic acid dimethyl ester
| Molecular Formula | C12H16O8 |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.0845 |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 61141-93-3 |
|---|---|
| SMILES | COC1C(=CC(=O)OC)OC(C(=CC(=O)OC)O1)OC |
| InChIKey | FJQSXOOHMPUDSL-UHFFFAOYSA-N |
Product Overview
2,2'- diaceticaciddimethylester (CAS 61141-93-3), with molecular formula C12H16O8 and molecular weight 288.08 g/mol. IUPAC: methyl 2-[3,6-dimethoxy-5-(2-methoxy-2-oxoethylidene)-1,4-dioxan-2-ylidene]acetate.
Chemical Property Profile of 2,2'- diaceticaciddimethylester
Property Insights of 2,2'- diaceticaciddimethylester
The XLogP value of -0.2 indicates that 2,2'- diaceticaciddimethylester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'- diaceticaciddimethylester. Following Lipinski's Rule of Five, 2,2'- diaceticaciddimethylester has 0 hydrogen bond donor(s) and 8 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 2,2'- diaceticaciddimethylester?
The CAS number of 2,2'- diaceticaciddimethylester is 61141-93-3.
What is the molecular formula of 2,2'- diaceticaciddimethylester?
The molecular formula of 2,2'- diaceticaciddimethylester is C12H16O8.
What is the molecular weight of 2,2'- diaceticaciddimethylester?
The molecular weight of 2,2'- diaceticaciddimethylester is 288.08 g/mol.
Where can I buy 2,2'- diaceticaciddimethylester?
You can request a quote for 2,2'- diaceticaciddimethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'- diaceticaciddimethylester?
Yes, KEHONG BIO provides custom synthesis services for 2,2'- diaceticaciddimethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.