(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate
TL;DR: (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate (CAS 58641-29-5) is a chemical compound with molecular formula C17H24O2 and molecular weight 260.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
Also Known As: d-menthyl benzoate, Racemic menthyl benzoate, Emtricitabine Impurity 30, EINECS 261-374-0, 2-Isopropyl-5-methylcyclohexyl benzoate
| Molecular Formula | C17H24O2 |
|---|---|
| Molecular Weight | 260.18 g/mol |
| LogP | 4.3042 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.17764 |
| Heavy Atoms | 19 |
| Complexity | 410.53006 |
Chemical Identifiers
| CAS Number | 58641-29-5 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CC=CC=C2)C(C)C |
Product Overview
(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate (CAS 58641-29-5), with molecular formula C17H24O2 and molecular weight 260.18 g/mol. IUPAC: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate.
Chemical Property Profile of (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate
Property Insights of (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate
The XLogP value of 4.3042 indicates that (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate 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 (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate?
The CAS number of (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate is 58641-29-5.
What is the molecular formula of (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate?
The molecular formula of (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate is C17H24O2.
What is the molecular weight of (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate?
The molecular weight of (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate is 260.18 g/mol.
Where can I buy (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate?
You can request a quote for (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.