2,6-Dichlorophenethyl isocyanate
TL;DR: 2,6-Dichlorophenethyl isocyanate (CAS 480439-03-0) is a chemical compound with molecular formula C9H7Cl2NO and molecular weight 214.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-2-(2-isocyanatoethyl)benzene
Also Known As: 2,6-Dichlorophenethyl isocyanate, 1,3-dichloro-2-(2-isocyanatoethyl)benzene, 2,6-Dichlorophenethyl isocyanate, 97%, 2,5-Di(p-tolyl)-3-phenyltetrazolium Chloride, Benzene, 1,3-dichloro-2-(2-isocyanatoethyl)-
| Molecular Formula | C9H7Cl2NO |
|---|---|
| Molecular Weight | 214.99 g/mol |
| LogP | 2.8717 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.99046 |
| Heavy Atoms | 13 |
| Complexity | 325.218 |
Chemical Identifiers
| CAS Number | 480439-03-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CCN=C=O)Cl |
Product Overview
2,6-Dichlorophenethyl isocyanate (CAS 480439-03-0), with molecular formula C9H7Cl2NO and molecular weight 214.99 g/mol. IUPAC: 1,3-dichloro-2-(2-isocyanatoethyl)benzene.
Chemical Property Profile of 2,6-Dichlorophenethyl isocyanate
Property Insights of 2,6-Dichlorophenethyl isocyanate
The XLogP value of 2.8717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dichlorophenethyl isocyanate. With a topological polar surface area (TPSA) of 29.43 Ų, 2,6-Dichlorophenethyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dichlorophenethyl isocyanate has 0 hydrogen bond donor(s) and 2 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-Dichlorophenethyl isocyanate?
The CAS number of 2,6-Dichlorophenethyl isocyanate is 480439-03-0.
What is the molecular formula of 2,6-Dichlorophenethyl isocyanate?
The molecular formula of 2,6-Dichlorophenethyl isocyanate is C9H7Cl2NO.
What is the molecular weight of 2,6-Dichlorophenethyl isocyanate?
The molecular weight of 2,6-Dichlorophenethyl isocyanate is 214.99 g/mol.
Where can I buy 2,6-Dichlorophenethyl isocyanate?
You can request a quote for 2,6-Dichlorophenethyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dichlorophenethyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dichlorophenethyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.