2,4-Dichlorobenzyl isocyanate
TL;DR: 2,4-Dichlorobenzyl isocyanate (CAS 19654-32-1) is a chemical compound with molecular formula C8H5Cl2NO and molecular weight 200.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-1-(isocyanatomethyl)benzene
Also Known As: 2,4-Dichlorobenzyl isocyanate, 2,4-dichlorobenzylisocyanate, 2,4-dichloro-1-(isocyanatomethyl)benzene, 2,4-Dichlorobenzyl isocyanate, 98%, 2,4-dichloro-1-isocyanatomethyl-benzene
| Molecular Formula | C8H5Cl2NO |
|---|---|
| Molecular Weight | 200.97 g/mol |
| LogP | 2.8292 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.97482 |
| Heavy Atoms | 12 |
| Complexity | 331.82977 |
Chemical Identifiers
| CAS Number | 19654-32-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CN=C=O |
Product Overview
2,4-Dichlorobenzyl isocyanate (CAS 19654-32-1), with molecular formula C8H5Cl2NO and molecular weight 200.97 g/mol. IUPAC: 2,4-dichloro-1-(isocyanatomethyl)benzene.
Chemical Property Profile of 2,4-Dichlorobenzyl isocyanate
Property Insights of 2,4-Dichlorobenzyl isocyanate
The XLogP value of 2.8292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dichlorobenzyl isocyanate. With a topological polar surface area (TPSA) of 29.43 Ų, 2,4-Dichlorobenzyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorobenzyl 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 2,4-Dichlorobenzyl isocyanate?
The CAS number of 2,4-Dichlorobenzyl isocyanate is 19654-32-1.
What is the molecular formula of 2,4-Dichlorobenzyl isocyanate?
The molecular formula of 2,4-Dichlorobenzyl isocyanate is C8H5Cl2NO.
What is the molecular weight of 2,4-Dichlorobenzyl isocyanate?
The molecular weight of 2,4-Dichlorobenzyl isocyanate is 200.97 g/mol.
Where can I buy 2,4-Dichlorobenzyl isocyanate?
You can request a quote for 2,4-Dichlorobenzyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorobenzyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorobenzyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.