4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate
TL;DR: 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate (CAS 85909-48-4) is a chemical compound with molecular formula C11H18O5 and molecular weight 230.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate
Also Known As: 2-Butenedioic acid(2Z)-, 2-hydroxymethylethyl 1-methylpropyl ester (9CI)
| Molecular Formula | C11H18O5 |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 0.8099 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.11542 |
| Heavy Atoms | 16 |
| Complexity | 246.75948 |
Chemical Identifiers
| CAS Number | 85909-48-4 |
|---|---|
| SMILES | CCC(C)OC(=O)C=CC(=O)OCCCO |
Product Overview
4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate (CAS 85909-48-4), with molecular formula C11H18O5 and molecular weight 230.12 g/mol. IUPAC: 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate.
Chemical Property Profile of 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate
Property Insights of 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate
The XLogP value of 0.8099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate. Following Lipinski's Rule of Five, 4-O-butan-2-yl 1-O-(3-hydroxypropyl) 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 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate?
The CAS number of 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate is 85909-48-4.
What is the molecular formula of 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate?
The molecular formula of 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate is C11H18O5.
What is the molecular weight of 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate?
The molecular weight of 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate is 230.12 g/mol.
Where can I buy 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate?
You can request a quote for 4-O-butan-2-yl 1-O-(3-hydroxypropyl) 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 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for 4-O-butan-2-yl 1-O-(3-hydroxypropyl) but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.