methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate
TL;DR: methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate (CAS 101859-28-3) is a chemical compound with molecular formula C17H32O3Si and molecular weight 312.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate
Also Known As: 2-Butenoic acid, 4-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-, methyl ester, (1alpha(Z),2beta)-, 2-Butenoic acid,4-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-, methyl ester, [1a(Z),2b]- (9CI)
| Molecular Formula | C17H32O3Si |
|---|---|
| Molecular Weight | 312.21 g/mol |
| LogP | 4.6863 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.21207 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 101859-28-3 |
|---|---|
| SMILES | CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1CC=CC(=O)OC |
| InChIKey | NHXVVNBNVUCNEH-CABCVRRESA-N |
Product Overview
methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate (CAS 101859-28-3), with molecular formula C17H32O3Si and molecular weight 312.21 g/mol. IUPAC: methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate.
Chemical Property Profile of methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate
Property Insights of methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate
The XLogP value of 4.6863 indicates that methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate has 0 hydrogen bond donor(s) and 3 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 methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate?
The CAS number of methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate is 101859-28-3.
What is the molecular formula of methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate?
The molecular formula of methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate is C17H32O3Si.
What is the molecular weight of methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate?
The molecular weight of methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate is 312.21 g/mol.
Where can I buy methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate?
You can request a quote for methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.