1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate)
TL;DR: 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate) (CAS 73806-29-8) is a chemical compound with molecular formula C12H14Cl6O4 and molecular weight 431.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2,4,4-tetramethyl-3-(2,2,2-trichloroacetyl)oxycyclobutyl] 2,2,2-trichloroacetate
Also Known As: 2,2,4,4-Tetramethyl-1,3-cyclobutanediol bis(trichloroacetate), 1,3-CYCLOBUTANEDIOL, 2,2,4,4-TETRAMETHYL-, BIS(TRICHLOROACETATE), 1, 2,2,4,4-tetramethyl-, bis(trichloroacetate), Acetic acid, trichloro-, 2,2,4,4-tetramethyl-1,3-cyclobutanediyl ester, 2,2,4,4-tetramethylcyclobutane-1,3-diyl bis(trichloroacetate)
| Molecular Formula | C12H14Cl6O4 |
|---|---|
| Molecular Weight | 431.90 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.89938 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 73806-29-8 |
|---|---|
| SMILES | CC1(C(C(C1OC(=O)C(Cl)(Cl)Cl)(C)C)OC(=O)C(Cl)(Cl)Cl)C |
| InChIKey | NZRLFFTYTLCMNM-UHFFFAOYSA-N |
Product Overview
1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate) (CAS 73806-29-8), with molecular formula C12H14Cl6O4 and molecular weight 431.90 g/mol. IUPAC: [2,2,4,4-tetramethyl-3-(2,2,2-trichloroacetyl)oxycyclobutyl] 2,2,2-trichloroacetate.
Chemical Property Profile of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate)
Property Insights of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate)
The XLogP value of 6.0 indicates that 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate)?
The CAS number of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate) is 73806-29-8.
What is the molecular formula of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate)?
The molecular formula of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate) is C12H14Cl6O4.
What is the molecular weight of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate)?
The molecular weight of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate) is 431.90 g/mol.
Where can I buy 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate)?
You can request a quote for 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, bis(trichloroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.