1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate
TL;DR: 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate (CAS 130-84-7) is a chemical compound with molecular formula C10H12O8 and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,3-diacetyloxybut-2-enedioate
Also Known As: Dimethyl diacetoxyfumarate, G00004-Watson-Int, dimethyl 2,3-diacetoxyfumarate, Diacetoxy-fumaric acid dimethyl ester, dimethyl 2,3-diacetoxybut-2-enedioate
| Molecular Formula | C10H12O8 |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 260.05322 |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 130-84-7 |
|---|---|
| SMILES | CC(=O)OC(=C(C(=O)OC)OC(=O)C)C(=O)OC |
| InChIKey | NKGXGEHGPYWBDK-UHFFFAOYSA-N |
Product Overview
1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate (CAS 130-84-7), with molecular formula C10H12O8 and molecular weight 260.05 g/mol. IUPAC: dimethyl 2,3-diacetyloxybut-2-enedioate.
Chemical Property Profile of 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate
Property Insights of 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate. Following Lipinski's Rule of Five, 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate 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 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate?
The CAS number of 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate is 130-84-7.
What is the molecular formula of 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate?
The molecular formula of 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate is C10H12O8.
What is the molecular weight of 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate?
The molecular weight of 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate is 260.05 g/mol.
Where can I buy 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate?
You can request a quote for 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.