2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene
TL;DR: 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene (CAS 865149-80-0) is a chemical compound with molecular formula C8H4ClF2NOS and molecular weight 234.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene
Also Known As: 2-chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene, 2-Chloro-1-difluoromethoxy-4-isothiocyanato-benzene, 848-921-4, RefChem:468457
| Molecular Formula | C8H4ClF2NOS |
|---|---|
| Molecular Weight | 234.97 g/mol |
| LogP | 3.6757 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.96703 |
| Heavy Atoms | 14 |
| Complexity | 379.60406 |
Chemical Identifiers
| CAS Number | 865149-80-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=C=S)Cl)OC(F)F |
Product Overview
2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene (CAS 865149-80-0), with molecular formula C8H4ClF2NOS and molecular weight 234.97 g/mol. IUPAC: 2-chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene.
Chemical Property Profile of 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene
Property Insights of 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene
The XLogP value of 3.6757 indicates that 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.59 Ų, 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene 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 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene?
The CAS number of 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene is 865149-80-0.
What is the molecular formula of 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene?
The molecular formula of 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene is C8H4ClF2NOS.
What is the molecular weight of 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene?
The molecular weight of 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene is 234.97 g/mol.
Where can I buy 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene?
You can request a quote for 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(difluoromethoxy)-4-isothiocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.