trans-4-tert-Butylcyclohexylmethyl acetate
TL;DR: trans-4-tert-Butylcyclohexylmethyl acetate (CAS 19461-34-8) 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.
(4-tert-butylcyclohexyl)methyl acetate
Also Known As: (4-tert-butylcyclohexyl)methyl acetate, trans-4-tert-Butylcyclohexylmethyl acetate, cis-4-tert-Butylcyclohexylmethyl acetate, KST-1A8859, 4-(tert-butyl)cyclohexylmethyl acetate
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 19461-34-8 |
|---|---|
| SMILES | CC(=O)OCC1CCC(CC1)C(C)(C)C |
| InChIKey | WKUHCAGBLASMGF-UHFFFAOYSA-N |
Product Overview
trans-4-tert-Butylcyclohexylmethyl acetate (CAS 19461-34-8), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: (4-tert-butylcyclohexyl)methyl acetate.
Chemical Property Profile of trans-4-tert-Butylcyclohexylmethyl acetate
Property Insights of trans-4-tert-Butylcyclohexylmethyl acetate
The XLogP value of 3.9 indicates that trans-4-tert-Butylcyclohexylmethyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, trans-4-tert-Butylcyclohexylmethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-4-tert-Butylcyclohexylmethyl acetate 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 trans-4-tert-Butylcyclohexylmethyl acetate?
The CAS number of trans-4-tert-Butylcyclohexylmethyl acetate is 19461-34-8.
What is the molecular formula of trans-4-tert-Butylcyclohexylmethyl acetate?
The molecular formula of trans-4-tert-Butylcyclohexylmethyl acetate is C13H24O2.
What is the molecular weight of trans-4-tert-Butylcyclohexylmethyl acetate?
The molecular weight of trans-4-tert-Butylcyclohexylmethyl acetate is 212.18 g/mol.
Where can I buy trans-4-tert-Butylcyclohexylmethyl acetate?
You can request a quote for trans-4-tert-Butylcyclohexylmethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-4-tert-Butylcyclohexylmethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for trans-4-tert-Butylcyclohexylmethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.