1-Phenylethane-1,2-diyl dipentanoate
TL;DR: 1-Phenylethane-1,2-diyl dipentanoate (CAS 13756-20-2) is a chemical compound with molecular formula C18H26O4 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-pentanoyloxy-2-phenylethyl) pentanoate
Also Known As: Phenethyl valerate, 1-phenylethane-1,2-diyl dipentanoate, (2-pentanoyloxy-2-phenylethyl) pentanoate, Divaleric acid 1-phenylethane-1,2-diyl ester, 2-(PENTANOYLOXY)-2-PHENYLETHYL PENTANOATE
| Molecular Formula | C18H26O4 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 306.1831 |
| Heavy Atoms | 22 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 13756-20-2 |
|---|---|
| SMILES | CCCCC(=O)OCC(C1=CC=CC=C1)OC(=O)CCCC |
| InChIKey | FADTVTDPFSZYLJ-UHFFFAOYSA-N |
Product Overview
1-Phenylethane-1,2-diyl dipentanoate (CAS 13756-20-2), with molecular formula C18H26O4 and molecular weight 306.18 g/mol. IUPAC: (2-pentanoyloxy-2-phenylethyl) pentanoate.
Chemical Property Profile of 1-Phenylethane-1,2-diyl dipentanoate
Property Insights of 1-Phenylethane-1,2-diyl dipentanoate
The XLogP value of 4.3 indicates that 1-Phenylethane-1,2-diyl dipentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-Phenylethane-1,2-diyl dipentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylethane-1,2-diyl dipentanoate 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 1-Phenylethane-1,2-diyl dipentanoate?
The CAS number of 1-Phenylethane-1,2-diyl dipentanoate is 13756-20-2.
What is the molecular formula of 1-Phenylethane-1,2-diyl dipentanoate?
The molecular formula of 1-Phenylethane-1,2-diyl dipentanoate is C18H26O4.
What is the molecular weight of 1-Phenylethane-1,2-diyl dipentanoate?
The molecular weight of 1-Phenylethane-1,2-diyl dipentanoate is 306.18 g/mol.
Where can I buy 1-Phenylethane-1,2-diyl dipentanoate?
You can request a quote for 1-Phenylethane-1,2-diyl dipentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylethane-1,2-diyl dipentanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylethane-1,2-diyl dipentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.