Diethyl(1-phenylpentyl)propanedioate
TL;DR: Diethyl(1-phenylpentyl)propanedioate (CAS 6308-27-6) 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.
diethyl 2-(1-phenylpentyl)propanedioate
Also Known As: diethyl(1-phenylpentyl)propanedioate, diethyl 2-(1-phenylpentyl)propanedioate, Diethyl (1-phenylpentyl)propanedioate, (alpha-Butylbenzyl)malonic acid diethyl ester, J1.092.381F
| Molecular Formula | C18H26O4 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 306.1831 |
| Heavy Atoms | 22 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 6308-27-6 |
|---|---|
| SMILES | CCCCC(C1=CC=CC=C1)C(C(=O)OCC)C(=O)OCC |
| InChIKey | KVRXSCFFVPWRKR-UHFFFAOYSA-N |
Product Overview
Diethyl(1-phenylpentyl)propanedioate (CAS 6308-27-6), with molecular formula C18H26O4 and molecular weight 306.18 g/mol. IUPAC: diethyl 2-(1-phenylpentyl)propanedioate.
Chemical Property Profile of Diethyl(1-phenylpentyl)propanedioate
Property Insights of Diethyl(1-phenylpentyl)propanedioate
The XLogP value of 4.8 indicates that Diethyl(1-phenylpentyl)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl(1-phenylpentyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl(1-phenylpentyl)propanedioate 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 Diethyl(1-phenylpentyl)propanedioate?
The CAS number of Diethyl(1-phenylpentyl)propanedioate is 6308-27-6.
What is the molecular formula of Diethyl(1-phenylpentyl)propanedioate?
The molecular formula of Diethyl(1-phenylpentyl)propanedioate is C18H26O4.
What is the molecular weight of Diethyl(1-phenylpentyl)propanedioate?
The molecular weight of Diethyl(1-phenylpentyl)propanedioate is 306.18 g/mol.
Where can I buy Diethyl(1-phenylpentyl)propanedioate?
You can request a quote for Diethyl(1-phenylpentyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(1-phenylpentyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(1-phenylpentyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.