Dibutan-2-yl but-2-enedioate
TL;DR: Dibutan-2-yl but-2-enedioate (CAS 2210-32-4) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutan-2-yl but-2-enedioate
Also Known As: dibutan-2-yl but-2-enedioate, Di(butan-2-yl) but-2-enedioate, 2-Butenedioic acid (E)-, bis(1-methylpropyl) ester, 2-Butenedioic acid(2E)-, 1,4-bis(1-methylpropyl) ester
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 2210-32-4 |
|---|---|
| SMILES | CCC(C)OC(=O)C=CC(=O)OC(C)CC |
| InChIKey | MWJNGKOBSUBRNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutan-2-yl but-2-enedioate (CAS 2210-32-4), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: dibutan-2-yl but-2-enedioate.
Chemical Property Profile of Dibutan-2-yl but-2-enedioate
Property Insights of Dibutan-2-yl but-2-enedioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutan-2-yl but-2-enedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dibutan-2-yl but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutan-2-yl but-2-enedioate 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 Dibutan-2-yl but-2-enedioate?
The CAS number of Dibutan-2-yl but-2-enedioate is 2210-32-4.
What is the molecular formula of Dibutan-2-yl but-2-enedioate?
The molecular formula of Dibutan-2-yl but-2-enedioate is C12H20O4.
What is the molecular weight of Dibutan-2-yl but-2-enedioate?
The molecular weight of Dibutan-2-yl but-2-enedioate is 228.14 g/mol.
Where can I buy Dibutan-2-yl but-2-enedioate?
You can request a quote for Dibutan-2-yl 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 Dibutan-2-yl but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Dibutan-2-yl but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.