Trimethylsilyl 4-isothiocyanatobutanoate
TL;DR: Trimethylsilyl 4-isothiocyanatobutanoate (CAS 28733-15-5) is a chemical compound with molecular formula C8H15NO2SSi and molecular weight 217.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethylsilyl 4-isothiocyanatobutanoate
Also Known As: trimethylsilyl 4-isothiocyanatobutanoate, trimethylsilyl 4-isothiocyanatobutyrate, RefChem:386462
| Molecular Formula | C8H15NO2SSi |
|---|---|
| Molecular Weight | 217.06 g/mol |
| LogP | 2.2475 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 217.05928 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 28733-15-5 |
|---|---|
| SMILES | C[Si](C)(C)OC(=O)CCCN=C=S |
| InChIKey | SERVFTLKAMKZNN-UHFFFAOYSA-N |
Product Overview
Trimethylsilyl 4-isothiocyanatobutanoate (CAS 28733-15-5), with molecular formula C8H15NO2SSi and molecular weight 217.06 g/mol. IUPAC: trimethylsilyl 4-isothiocyanatobutanoate.
Chemical Property Profile of Trimethylsilyl 4-isothiocyanatobutanoate
Property Insights of Trimethylsilyl 4-isothiocyanatobutanoate
The XLogP value of 2.2475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylsilyl 4-isothiocyanatobutanoate. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethylsilyl 4-isothiocyanatobutanoate. Following Lipinski's Rule of Five, Trimethylsilyl 4-isothiocyanatobutanoate has 0 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 Trimethylsilyl 4-isothiocyanatobutanoate?
The CAS number of Trimethylsilyl 4-isothiocyanatobutanoate is 28733-15-5.
What is the molecular formula of Trimethylsilyl 4-isothiocyanatobutanoate?
The molecular formula of Trimethylsilyl 4-isothiocyanatobutanoate is C8H15NO2SSi.
What is the molecular weight of Trimethylsilyl 4-isothiocyanatobutanoate?
The molecular weight of Trimethylsilyl 4-isothiocyanatobutanoate is 217.06 g/mol.
Where can I buy Trimethylsilyl 4-isothiocyanatobutanoate?
You can request a quote for Trimethylsilyl 4-isothiocyanatobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylsilyl 4-isothiocyanatobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylsilyl 4-isothiocyanatobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.