3-Phenylpropane-1,1-diyl diacetate
TL;DR: 3-Phenylpropane-1,1-diyl diacetate (CAS 85337-09-3) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyloxy-3-phenylpropyl) acetate
Also Known As: 3-phenylpropane-1,1-diyl diacetate, 3-Phenylpropylidenediacetate, Benzenepropanal diacetyl acetal, Hydrocinnamaldehyde diacetyl acetal, 3-phenyl-1,1-propanediol diacetate
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 85337-09-3 |
|---|---|
| SMILES | CC(=O)OC(CCC1=CC=CC=C1)OC(=O)C |
| InChIKey | ANUYJDFOJDZIFI-UHFFFAOYSA-N |
Product Overview
3-Phenylpropane-1,1-diyl diacetate (CAS 85337-09-3), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: (1-acetyloxy-3-phenylpropyl) acetate.
Chemical Property Profile of 3-Phenylpropane-1,1-diyl diacetate
Property Insights of 3-Phenylpropane-1,1-diyl diacetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylpropane-1,1-diyl diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Phenylpropane-1,1-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropane-1,1-diyl diacetate 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 3-Phenylpropane-1,1-diyl diacetate?
The CAS number of 3-Phenylpropane-1,1-diyl diacetate is 85337-09-3.
What is the molecular formula of 3-Phenylpropane-1,1-diyl diacetate?
The molecular formula of 3-Phenylpropane-1,1-diyl diacetate is C13H16O4.
What is the molecular weight of 3-Phenylpropane-1,1-diyl diacetate?
The molecular weight of 3-Phenylpropane-1,1-diyl diacetate is 236.10 g/mol.
Where can I buy 3-Phenylpropane-1,1-diyl diacetate?
You can request a quote for 3-Phenylpropane-1,1-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropane-1,1-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropane-1,1-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.