1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene
TL;DR: 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene (CAS 55225-96-2) is a chemical compound with molecular formula C9H5Cl2F2NO2 and molecular weight 266.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene
Also Known As: 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene, 1- -4-isocyanatobenzene, EINECS 259-538-1, 4-(2,2-Dichloro-1,1-difluoroethoxy)phenyl isocyanate, Benzene,1-(2,2-dichloro-1,1-difluoroethoxy)-4-isocyanato-
| Molecular Formula | C9H5Cl2F2NO2 |
|---|---|
| Molecular Weight | 266.97 g/mol |
| LogP | 3.4292 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.96655 |
| Heavy Atoms | 16 |
| Complexity | 402.47495 |
Chemical Identifiers
| CAS Number | 55225-96-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=O)OC(C(Cl)Cl)(F)F |
Product Overview
1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene (CAS 55225-96-2), with molecular formula C9H5Cl2F2NO2 and molecular weight 266.97 g/mol. IUPAC: 1-(2,2-dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene.
Chemical Property Profile of 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene
Property Insights of 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene
The XLogP value of 3.4292 indicates that 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene has 0 hydrogen bond donor(s) and 3 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-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene?
The CAS number of 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene is 55225-96-2.
What is the molecular formula of 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene?
The molecular formula of 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene is C9H5Cl2F2NO2.
What is the molecular weight of 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene?
The molecular weight of 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene is 266.97 g/mol.
Where can I buy 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene?
You can request a quote for 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2-Dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.