Methyl isocyanide-d3
TL;DR: Methyl isocyanide-d3 (CAS 917-96-4) is a chemical compound with molecular formula [2H]C([2H])([2H])N=C and molecular weight 46.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(trideuteriomethyl)methanimine
Also Known As: Methyl isocyanide-d3, Methyl-d3 isocyanide, Methane-d3, isocyano-, CH2=NCH3, N-(trideuteriomethyl)methanimine
| Molecular Formula | [2H]C([2H])([2H])N=C |
|---|---|
| Molecular Weight | 46.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 46.061028 |
| Heavy Atoms | 3 |
| Complexity | 10.0 |
Chemical Identifiers
| CAS Number | 917-96-4 |
|---|---|
| SMILES | [2H]C([2H])([2H])N=C |
| InChIKey | NYVSDPNXBIEFPW-BMSJAHLVSA-N |
Product Overview
Methyl isocyanide-d3 (CAS 917-96-4), with molecular formula [2H]C([2H])([2H])N=C and molecular weight 46.06 g/mol. IUPAC: N-(trideuteriomethyl)methanimine.
Chemical Property Profile of Methyl isocyanide-d3
Property Insights of Methyl isocyanide-d3
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl isocyanide-d3. With a topological polar surface area (TPSA) of 12.4 Ų, Methyl isocyanide-d3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl isocyanide-d3 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 Methyl isocyanide-d3?
The CAS number of Methyl isocyanide-d3 is 917-96-4.
What is the molecular formula of Methyl isocyanide-d3?
The molecular formula of Methyl isocyanide-d3 is [2H]C([2H])([2H])N=C.
What is the molecular weight of Methyl isocyanide-d3?
The molecular weight of Methyl isocyanide-d3 is 46.06 g/mol.
Where can I buy Methyl isocyanide-d3?
You can request a quote for Methyl isocyanide-d3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl isocyanide-d3?
Yes, KEHONG BIO provides custom synthesis services for Methyl isocyanide-d3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.