Triisocyanato(methyl)silane
TL;DR: Triisocyanato(methyl)silane (CAS 5587-61-1) is a chemical compound with molecular formula C4H3N3O3Si and molecular weight 168.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triisocyanato(methyl)silane
Also Known As: triisocyanato(methyl)silane, TRIISOCYANATO-METHYL-SILANE, Silane, triisocyanotomethyl-, Orgatics SI-310, methyltriisocyanatosilane
| Molecular Formula | C4H3N3O3Si |
|---|---|
| Molecular Weight | 168.99 g/mol |
| LogP | -0.4375 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.99437 |
| Heavy Atoms | 11 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 5587-61-1 |
|---|---|
| SMILES | C[Si](N=C=O)(N=C=O)N=C=O |
| InChIKey | DFJSZWHUOKADCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triisocyanato(methyl)silane (CAS 5587-61-1), with molecular formula C4H3N3O3Si and molecular weight 168.99 g/mol. IUPAC: triisocyanato(methyl)silane.
Chemical Property Profile of Triisocyanato(methyl)silane
Property Insights of Triisocyanato(methyl)silane
The XLogP value of -0.4375 indicates that Triisocyanato(methyl)silane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Triisocyanato(methyl)silane. Following Lipinski's Rule of Five, Triisocyanato(methyl)silane has 0 hydrogen bond donor(s) and 6 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 Triisocyanato(methyl)silane?
The CAS number of Triisocyanato(methyl)silane is 5587-61-1.
What is the molecular formula of Triisocyanato(methyl)silane?
The molecular formula of Triisocyanato(methyl)silane is C4H3N3O3Si.
What is the molecular weight of Triisocyanato(methyl)silane?
The molecular weight of Triisocyanato(methyl)silane is 168.99 g/mol.
Where can I buy Triisocyanato(methyl)silane?
You can request a quote for Triisocyanato(methyl)silane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisocyanato(methyl)silane?
Yes, KEHONG BIO provides custom synthesis services for Triisocyanato(methyl)silane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.