1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole
TL;DR: 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole (CAS 76215-48-0) is a chemical compound with molecular formula C9H4ClF6IO and molecular weight 403.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3,3-bis(trifluoromethyl)-1λ3,2-benziodoxole
Also Known As: 1-chloro-3,3-bis(trifluoromethyl)-1, J2.707.548G, 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole, 1-Chloro-3,3-bis(trifluoromethyl)-3H-1,2-benzoiodoxole, 1-chloro-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole
| Molecular Formula | C9H4ClF6IO |
|---|---|
| Molecular Weight | 403.89 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 403.88995 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 76215-48-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OI2Cl)(C(F)(F)F)C(F)(F)F |
| InChIKey | OZKRCZLRJJDXGU-UHFFFAOYSA-N |
Product Overview
1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole (CAS 76215-48-0), with molecular formula C9H4ClF6IO and molecular weight 403.89 g/mol. IUPAC: 1-chloro-3,3-bis(trifluoromethyl)-1λ3,2-benziodoxole.
Chemical Property Profile of 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole
Property Insights of 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole
The XLogP value of 5.1 indicates that 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole?
The CAS number of 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole is 76215-48-0.
What is the molecular formula of 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole?
The molecular formula of 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole is C9H4ClF6IO.
What is the molecular weight of 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole?
The molecular weight of 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole is 403.89 g/mol.
Where can I buy 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole?
You can request a quote for 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.