1,2-Dichloro-4-(2-isocyanatoethyl)benzene
TL;DR: 1,2-Dichloro-4-(2-isocyanatoethyl)benzene (CAS 115706-18-8) 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.
1,2-dichloro-4-(2-isocyanatoethyl)benzene
Also Known As: 1,2-dichloro-4-(2-isocyanatoethyl)benzene, 3,4-Dichlorophenethyl isocyanate, Benzene, 1,2-dichloro-4-(2-isocyanatoethyl)-, 3,4-Dichlorophenethyl isocyanate, 97%, 1-isocyano-2-(3,4-dichlorophenyl)ethane
| 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 | 345.468 |
Chemical Identifiers
| CAS Number | 115706-18-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCN=C=O)Cl)Cl |
Product Overview
1,2-Dichloro-4-(2-isocyanatoethyl)benzene (CAS 115706-18-8), with molecular formula C9H7Cl2NO and molecular weight 214.99 g/mol. IUPAC: 1,2-dichloro-4-(2-isocyanatoethyl)benzene.
Chemical Property Profile of 1,2-Dichloro-4-(2-isocyanatoethyl)benzene
Property Insights of 1,2-Dichloro-4-(2-isocyanatoethyl)benzene
The XLogP value of 2.8717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dichloro-4-(2-isocyanatoethyl)benzene. With a topological polar surface area (TPSA) of 29.43 Ų, 1,2-Dichloro-4-(2-isocyanatoethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-4-(2-isocyanatoethyl)benzene 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 1,2-Dichloro-4-(2-isocyanatoethyl)benzene?
The CAS number of 1,2-Dichloro-4-(2-isocyanatoethyl)benzene is 115706-18-8.
What is the molecular formula of 1,2-Dichloro-4-(2-isocyanatoethyl)benzene?
The molecular formula of 1,2-Dichloro-4-(2-isocyanatoethyl)benzene is C9H7Cl2NO.
What is the molecular weight of 1,2-Dichloro-4-(2-isocyanatoethyl)benzene?
The molecular weight of 1,2-Dichloro-4-(2-isocyanatoethyl)benzene is 214.99 g/mol.
Where can I buy 1,2-Dichloro-4-(2-isocyanatoethyl)benzene?
You can request a quote for 1,2-Dichloro-4-(2-isocyanatoethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dichloro-4-(2-isocyanatoethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichloro-4-(2-isocyanatoethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.