1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate
TL;DR: 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate (CAS 68479-16-3) is a chemical compound with molecular formula C6H13Cl3O4Si and molecular weight 281.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trihydroxy-(1,2,3-trichloro-2-ethylbutoxy)silane
Also Known As: KST-1B7631, Silane, trichlorohexyl-, branched and linear, 1,2,3-trichloro-2-ethylbutyl trihydrogen orthosilicate, trihydroxy-(1,2,3-trichloro-2-ethylbutoxy)silane
| Molecular Formula | C6H13Cl3O4Si |
|---|---|
| Molecular Weight | 281.96 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.96487 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 68479-16-3 |
|---|---|
| SMILES | CCC(C(C)Cl)(C(O[Si](O)(O)O)Cl)Cl |
| InChIKey | QNRZPNKMJUTNED-UHFFFAOYSA-N |
Product Overview
1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate (CAS 68479-16-3), with molecular formula C6H13Cl3O4Si and molecular weight 281.96 g/mol. IUPAC: trihydroxy-(1,2,3-trichloro-2-ethylbutoxy)silane.
Chemical Property Profile of 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate
Property Insights of 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate. Following Lipinski's Rule of Five, 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate has 3 hydrogen bond donor(s) and 4 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 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate?
The CAS number of 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate is 68479-16-3.
What is the molecular formula of 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate?
The molecular formula of 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate is C6H13Cl3O4Si.
What is the molecular weight of 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate?
The molecular weight of 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate is 281.96 g/mol.
Where can I buy 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate?
You can request a quote for 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trichloro-2-ethylbutyl trihydrogen orthosilicate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.