![(7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate structure](/static/products/917/91766-29-9.png)
(7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate
TL;DR: (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate (CAS 91766-29-9) is a chemical compound with molecular formula C12H18O5 and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(acetyloxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methyl acetate
Also Known As: 1-Butoxy-2-phenoxy-aethan, [4-(acetyloxymethyl)-7-oxabicyclo[4.1.0]heptan-4-yl]methyl acetate, (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate, 7-oxabicyclo[4.1.0]heptane-3,3-diyldimethanediyl diacetate
| Molecular Formula | C12H18O5 |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.11542 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 91766-29-9 |
|---|---|
| SMILES | CC(=O)OCC1(CCC2C(C1)O2)COC(=O)C |
| InChIKey | MRVJTYULMLNRAL-UHFFFAOYSA-N |
Product Overview
(7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate (CAS 91766-29-9), with molecular formula C12H18O5 and molecular weight 242.12 g/mol. IUPAC: [3-(acetyloxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methyl acetate.
Chemical Property Profile of (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate
Property Insights of (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate. Following Lipinski's Rule of Five, (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate has 0 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 (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate?
The CAS number of (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate is 91766-29-9.
What is the molecular formula of (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate?
The molecular formula of (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate is C12H18O5.
What is the molecular weight of (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate?
The molecular weight of (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate is 242.12 g/mol.
Where can I buy (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate?
You can request a quote for (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate?
Yes, KEHONG BIO provides custom synthesis services for (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.