1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate
TL;DR: 1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate (CAS 85909-46-2) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate
Also Known As: 2-Butenedioic acid(2Z)-, 2-hydroxymethylethyl 1-methylethyl ester (9CI)
| Molecular Formula | C10H16O5 |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 0.4198 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.09978 |
| Heavy Atoms | 15 |
| Complexity | 231.96724 |
Chemical Identifiers
| CAS Number | 85909-46-2 |
|---|---|
| SMILES | CC(C)OC(=O)C=CC(=O)OCCCO |
Product Overview
1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate (CAS 85909-46-2), with molecular formula C10H16O5 and molecular weight 216.10 g/mol. IUPAC: 1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate.
Chemical Property Profile of 1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate
Property Insights of 1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate
The XLogP value of 0.4198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate. Following Lipinski's Rule of Five, 1-O-(3-hydroxypropyl) 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-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate?
The CAS number of 1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate is 85909-46-2.
What is the molecular formula of 1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate?
The molecular formula of 1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate is C10H16O5.
What is the molecular weight of 1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate?
The molecular weight of 1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate is 216.10 g/mol.
Where can I buy 1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate?
You can request a quote for 1-O-(3-hydroxypropyl) 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-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-O-(3-hydroxypropyl) 4-O-propan-2-yl but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.