12H-016
TL;DR: 12H-016 (CAS 306977-40-2) is a chemical compound with molecular formula C19H10Cl4F3NO2 and molecular weight 480.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,4-dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanol
Also Known As: 12H-016, [3-(2,4-dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinyl](2,4-dichlorophenyl)methanol, [3-(2,4-dichlorophenoxy)-5-(trifluoromethyl)pyridin-2-yl]-(2,4-dichlorophenyl)methanol, [3-(2,4-dichlorophenoxy)-5-(trifluoromethyl)pyridin-2-yl](2,4-dichlorophenyl)methanol
| Molecular Formula | C19H10Cl4F3NO2 |
|---|---|
| Molecular Weight | 480.94 g/mol |
| LogP | 7.588 |
| Topological Polar Surface Area | 42.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.94177 |
| Heavy Atoms | 29 |
| Complexity | 1060.1096 |
Chemical Identifiers
| CAS Number | 306977-40-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(C2=C(C=C(C=N2)C(F)(F)F)OC3=C(C=C(C=C3)Cl)Cl)O |
Product Overview
12H-016 (CAS 306977-40-2), with molecular formula C19H10Cl4F3NO2 and molecular weight 480.94 g/mol. IUPAC: [3-(2,4-dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanol.
Chemical Property Profile of 12H-016
Property Insights of 12H-016
The XLogP value of 7.588 indicates that 12H-016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.35 Ų, 12H-016 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12H-016 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12H-016?
The CAS number of 12H-016 is 306977-40-2.
What is the molecular formula of 12H-016?
The molecular formula of 12H-016 is C19H10Cl4F3NO2.
What is the molecular weight of 12H-016?
The molecular weight of 12H-016 is 480.94 g/mol.
Where can I buy 12H-016?
You can request a quote for 12H-016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12H-016?
Yes, KEHONG BIO provides custom synthesis services for 12H-016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.