Trimedlure A
TL;DR: Trimedlure A (CAS 5748-20-9) is a chemical compound with molecular formula C12H21ClO2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (1S,2S,5S)-5-chloro-2-methylcyclohexane-1-carboxylate
Also Known As: Trimedlure A, tert-butyl (1S,2S,5S)-5-chloro-2-methylcyclohexane-1-carboxylate, Cyclohexanecarboxylic acid, 5-chloro-2-methyl-, 1,1-dimethylethyl ester, (1alpha,2beta,5alpha)-
| Molecular Formula | C12H21ClO2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 3.3717 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.123 |
| Heavy Atoms | 15 |
| Complexity | 232.26685 |
Chemical Identifiers
| CAS Number | 5748-20-9 |
|---|---|
| SMILES | C[C@H]1CC[C@@H](C[C@@H]1C(=O)OC(C)(C)C)Cl |
Product Overview
Trimedlure A (CAS 5748-20-9), with molecular formula C12H21ClO2 and molecular weight 232.12 g/mol. IUPAC: tert-butyl (1S,2S,5S)-5-chloro-2-methylcyclohexane-1-carboxylate.
Chemical Property Profile of Trimedlure A
Property Insights of Trimedlure A
The XLogP value of 3.3717 indicates that Trimedlure A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Trimedlure A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimedlure A 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 Trimedlure A?
The CAS number of Trimedlure A is 5748-20-9.
What is the molecular formula of Trimedlure A?
The molecular formula of Trimedlure A is C12H21ClO2.
What is the molecular weight of Trimedlure A?
The molecular weight of Trimedlure A is 232.12 g/mol.
Where can I buy Trimedlure A?
You can request a quote for Trimedlure A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimedlure A?
Yes, KEHONG BIO provides custom synthesis services for Trimedlure A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.