三級-丁胩
TL;DR: 三級-丁胩 (CAS 7188-38-7) is a chemical compound with molecular formula C5H9N and molecular weight 83.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三級-丁胩
2-isocyano-2-methylpropane
Also Known As: tert-BUTYL ISOCYANIDE, 2-Isocyano-2-methylpropane, tert-butylisocyanide, tert-Butylisonitrile, t-Butylisonitrile
| Molecular Formula | C5H9N |
|---|---|
| Molecular Weight | 83.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 83.0735 |
| Heavy Atoms | 6 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 7188-38-7 |
|---|---|
| SMILES | CC(C)(C)[N+]#[C-] |
| InChIKey | FAGLEPBREOXSAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三級-丁胩 (CAS 7188-38-7), with molecular formula C5H9N and molecular weight 83.07 g/mol. IUPAC: 2-isocyano-2-methylpropane.
Chemical Property Profile of 三級-丁胩
Property Insights of 三級-丁胩
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三級-丁胩. With a topological polar surface area (TPSA) of 4.4 Ų, 三級-丁胩 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三級-丁胩 has 0 hydrogen bond donor(s) and 1 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 三級-丁胩?
The CAS number of 三級-丁胩 is 7188-38-7.
What is the molecular formula of 三級-丁胩?
The molecular formula of 三級-丁胩 is C5H9N.
What is the molecular weight of 三級-丁胩?
The molecular weight of 三級-丁胩 is 83.07 g/mol.
Where can I buy 三級-丁胩?
You can request a quote for 三級-丁胩 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三級-丁胩?
Yes, KEHONG BIO provides custom synthesis services for 三級-丁胩 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.