1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate
TL;DR: 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate (CAS 32569-21-4) is a chemical compound with molecular formula C9H14O5 and molecular weight 202.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate
Also Known As: 2-Hydroxyethyl isopropyl maleate, 2-Butenedioic acid(2Z)-, 2-hydroxyethyl 1-methylethyl ester (9CI)
| Molecular Formula | C9H14O5 |
|---|---|
| Molecular Weight | 202.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 202.08412 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 32569-21-4 |
|---|---|
| SMILES | CC(C)OC(=O)C=CC(=O)OCCO |
| InChIKey | HTZHJLUKEIMVLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate (CAS 32569-21-4), with molecular formula C9H14O5 and molecular weight 202.08 g/mol. IUPAC: 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate.
Chemical Property Profile of 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate
Property Insights of 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate. Following Lipinski's Rule of Five, 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate has 1 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 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate?
The CAS number of 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate is 32569-21-4.
What is the molecular formula of 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate?
The molecular formula of 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate is C9H14O5.
What is the molecular weight of 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate?
The molecular weight of 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate is 202.08 g/mol.
Where can I buy 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate?
You can request a quote for 1-O-(2-hydroxyethyl) 4-O-propan-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 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-O-(2-hydroxyethyl) 4-O-propan-2-yl but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.