Propan-2-yl 4-cyclohexylbutanoate
TL;DR: Propan-2-yl 4-cyclohexylbutanoate (CAS 7461-29-2) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-cyclohexylbutanoate
Also Known As: propan-2-yl 4-cyclohexylbutanoate
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 7461-29-2 |
|---|---|
| SMILES | CC(C)OC(=O)CCCC1CCCCC1 |
| InChIKey | IDGAYDKOFKKPNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propan-2-yl 4-cyclohexylbutanoate (CAS 7461-29-2), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: propan-2-yl 4-cyclohexylbutanoate.
Chemical Property Profile of Propan-2-yl 4-cyclohexylbutanoate
Property Insights of Propan-2-yl 4-cyclohexylbutanoate
The XLogP value of 4.5 indicates that Propan-2-yl 4-cyclohexylbutanoate 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 4-cyclohexylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 4-cyclohexylbutanoate 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 4-cyclohexylbutanoate?
The CAS number of Propan-2-yl 4-cyclohexylbutanoate is 7461-29-2.
What is the molecular formula of Propan-2-yl 4-cyclohexylbutanoate?
The molecular formula of Propan-2-yl 4-cyclohexylbutanoate is C13H24O2.
What is the molecular weight of Propan-2-yl 4-cyclohexylbutanoate?
The molecular weight of Propan-2-yl 4-cyclohexylbutanoate is 212.18 g/mol.
Where can I buy Propan-2-yl 4-cyclohexylbutanoate?
You can request a quote for Propan-2-yl 4-cyclohexylbutanoate 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 4-cyclohexylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-cyclohexylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.