2,6-Dichlorophenylisocyanide
TL;DR: 2,6-Dichlorophenylisocyanide (CAS 6697-95-6) is a chemical compound with molecular formula C7H3Cl2N and molecular weight 170.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-2-isocyanobenzene
Also Known As: 2,6-Dichlorophenylisocyanide, 1,3-dichloro-2-isocyanobenzene, 2,6-dichlorophenyl isocyanide, 2,6-dichlorphenylisocyanide, (2,6-Dichlorophenyl) isocyanide
| Molecular Formula | C7H3Cl2N |
|---|---|
| Molecular Weight | 170.96 g/mol |
| LogP | 3.54419 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.96425 |
| Heavy Atoms | 10 |
| Complexity | 267.89786 |
Chemical Identifiers
| CAS Number | 6697-95-6 |
|---|---|
| SMILES | [C-]#[N+]C1=C(C=CC=C1Cl)Cl |
Product Overview
2,6-Dichlorophenylisocyanide (CAS 6697-95-6), with molecular formula C7H3Cl2N and molecular weight 170.96 g/mol. IUPAC: 1,3-dichloro-2-isocyanobenzene.
Chemical Property Profile of 2,6-Dichlorophenylisocyanide
Property Insights of 2,6-Dichlorophenylisocyanide
The XLogP value of 3.54419 indicates that 2,6-Dichlorophenylisocyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 2,6-Dichlorophenylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dichlorophenylisocyanide has 0 hydrogen bond donor(s) and 0 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 2,6-Dichlorophenylisocyanide?
The CAS number of 2,6-Dichlorophenylisocyanide is 6697-95-6.
What is the molecular formula of 2,6-Dichlorophenylisocyanide?
The molecular formula of 2,6-Dichlorophenylisocyanide is C7H3Cl2N.
What is the molecular weight of 2,6-Dichlorophenylisocyanide?
The molecular weight of 2,6-Dichlorophenylisocyanide is 170.96 g/mol.
Where can I buy 2,6-Dichlorophenylisocyanide?
You can request a quote for 2,6-Dichlorophenylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dichlorophenylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dichlorophenylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.