1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole
TL;DR: 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole (CAS 69352-00-7) is a chemical compound with molecular formula C10H6BrF6IO and molecular weight 461.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-5-methyl-3,3-bis(trifluoromethyl)-1λ3,2-benziodoxole
Also Known As: 1-bromo-5-methyl-3,3-bis(trifluoromethyl)-1, 1-bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole, C(F)(F)(F)C1(OI(Br)c2ccc(C)cc12)C(F)(F)F, 1,2-Benziodoxole, 1-bromo-1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-, 1-Bromo-1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1,2-benziodoxole
| Molecular Formula | C10H6BrF6IO |
|---|---|
| Molecular Weight | 461.86 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 461.8551 |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 69352-00-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)I(OC2(C(F)(F)F)C(F)(F)F)Br |
| InChIKey | QTMUFGBOFDGGTD-UHFFFAOYSA-N |
Product Overview
1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole (CAS 69352-00-7), with molecular formula C10H6BrF6IO and molecular weight 461.86 g/mol. IUPAC: 1-bromo-5-methyl-3,3-bis(trifluoromethyl)-1λ3,2-benziodoxole.
Chemical Property Profile of 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole
Property Insights of 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole
The XLogP value of 5.6 indicates that 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-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-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-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-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole?
The CAS number of 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole is 69352-00-7.
What is the molecular formula of 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole?
The molecular formula of 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole is C10H6BrF6IO.
What is the molecular weight of 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole?
The molecular weight of 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole is 461.86 g/mol.
Where can I buy 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole?
You can request a quote for 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-5-methyl-3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.