Isocyanobenzene-2,4,6-d3
TL;DR: Isocyanobenzene-2,4,6-d3 (CAS 51524-87-9) is a chemical compound with molecular formula C7H5N and molecular weight 106.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trideuterio-2-isocyanobenzene
Also Known As: Phenyl isocyanide, Isocyanobenzene-2,4,6-d3, Benzene-1,3,5-d3, 2-isocyano-, 1,3,5-trideuterio-2-isocyanobenzene, 1-Isocyano(2,4,6-~2~H_3_)benzene
| Molecular Formula | C7H5N |
|---|---|
| Molecular Weight | 106.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.06103 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 51524-87-9 |
|---|---|
| SMILES | [2H]C1=CC(=C(C(=C1)[2H])[N+]#[C-])[2H] |
| InChIKey | RCIBIGQXGCBBCT-UJESMPABSA-N |
Product Overview
Isocyanobenzene-2,4,6-d3 (CAS 51524-87-9), with molecular formula C7H5N and molecular weight 106.06 g/mol. IUPAC: 1,3,5-trideuterio-2-isocyanobenzene.
Chemical Property Profile of Isocyanobenzene-2,4,6-d3
Property Insights of Isocyanobenzene-2,4,6-d3
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocyanobenzene-2,4,6-d3. With a topological polar surface area (TPSA) of 4.4 Ų, Isocyanobenzene-2,4,6-d3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocyanobenzene-2,4,6-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 Isocyanobenzene-2,4,6-d3?
The CAS number of Isocyanobenzene-2,4,6-d3 is 51524-87-9.
What is the molecular formula of Isocyanobenzene-2,4,6-d3?
The molecular formula of Isocyanobenzene-2,4,6-d3 is C7H5N.
What is the molecular weight of Isocyanobenzene-2,4,6-d3?
The molecular weight of Isocyanobenzene-2,4,6-d3 is 106.06 g/mol.
Where can I buy Isocyanobenzene-2,4,6-d3?
You can request a quote for Isocyanobenzene-2,4,6-d3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocyanobenzene-2,4,6-d3?
Yes, KEHONG BIO provides custom synthesis services for Isocyanobenzene-2,4,6-d3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.