1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol
TL;DR: 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol (CAS 29839-58-5) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2,2,5-trimethyloxolan-3-ol
Also Known As: 3-Ethyl-2,2,5-trimethyltetrahydrofuran-3-ol, 3-ethyl-2,2,5-trimethyloxolan-3-ol, 3-FURANOL, TETRAHYDRO-3-ETHYL-2,2,5-TRIMETHYL-, 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol, RefChem:1053149
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 29839-58-5 |
|---|---|
| SMILES | CCC1(CC(OC1(C)C)C)O |
| InChIKey | KRIRCZNVMJAGJY-UHFFFAOYSA-N |
Product Overview
1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol (CAS 29839-58-5), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 3-ethyl-2,2,5-trimethyloxolan-3-ol.
Chemical Property Profile of 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol
Property Insights of 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol. With a topological polar surface area (TPSA) of 29.5 Ų, 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol has 1 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 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol?
The CAS number of 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol is 29839-58-5.
What is the molecular formula of 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol?
The molecular formula of 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol is C9H18O2.
What is the molecular weight of 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol?
The molecular weight of 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol is 158.13 g/mol.
Where can I buy 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol?
You can request a quote for 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.