RefChem:366992
TL;DR: RefChem:366992 (CAS 70636-88-3) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Methyl-4-tert-butylbicycloorthocarboxylate, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-tert-butyl-1-methyl-, 4-tert-butyl-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane, Orthoacetic acid, cyclic ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3-propanediol, 2,6,7-Trioxabicyclo[2.2.2]octane, 4-(1,1-dimethylethyl)-1-methyl-
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 70636-88-3 |
|---|---|
| SMILES | CC12OCC(CO1)(CO2)C(C)(C)C |
| InChIKey | RFOOWUVDJFJZDN-UHFFFAOYSA-N |
Product Overview
RefChem:366992 (CAS 70636-88-3), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: 4-tert-butyl-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:366992
Property Insights of RefChem:366992
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:366992. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:366992 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:366992 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 RefChem:366992?
The CAS number of RefChem:366992 is 70636-88-3.
What is the molecular formula of RefChem:366992?
The molecular formula of RefChem:366992 is C10H18O3.
What is the molecular weight of RefChem:366992?
The molecular weight of RefChem:366992 is 186.13 g/mol.
Where can I buy RefChem:366992?
You can request a quote for RefChem:366992 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:366992?
Yes, KEHONG BIO provides custom synthesis services for RefChem:366992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.