Propan-2-yl 6-phenylhexanoate
TL;DR: Propan-2-yl 6-phenylhexanoate (CAS 2779-21-7) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-phenylhexanoate
Also Known As: propan-2-yl 6-phenylhexanoate, Benzenehexanoic acid,1-methylethyl ester
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 2779-21-7 |
|---|---|
| SMILES | CC(C)OC(=O)CCCCCC1=CC=CC=C1 |
| InChIKey | DBBRDERKRASOMJ-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 6-phenylhexanoate (CAS 2779-21-7), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: propan-2-yl 6-phenylhexanoate.
Chemical Property Profile of Propan-2-yl 6-phenylhexanoate
Property Insights of Propan-2-yl 6-phenylhexanoate
The XLogP value of 4.4 indicates that Propan-2-yl 6-phenylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propan-2-yl 6-phenylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 6-phenylhexanoate has 0 hydrogen bond donor(s) and 2 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 Propan-2-yl 6-phenylhexanoate?
The CAS number of Propan-2-yl 6-phenylhexanoate is 2779-21-7.
What is the molecular formula of Propan-2-yl 6-phenylhexanoate?
The molecular formula of Propan-2-yl 6-phenylhexanoate is C15H22O2.
What is the molecular weight of Propan-2-yl 6-phenylhexanoate?
The molecular weight of Propan-2-yl 6-phenylhexanoate is 234.16 g/mol.
Where can I buy Propan-2-yl 6-phenylhexanoate?
You can request a quote for Propan-2-yl 6-phenylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 6-phenylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 6-phenylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.