D-Thyroxine
TL;DR: D-Thyroxine (CAS 313236-73-6) is a chemical compound with molecular formula C18H15F3N4O2S and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
Also Known As: D-Thyroxine, 4-[3-(1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide, 1-(4-Sulfamylphenyl)-3-trifluoromethyl-5-(3-indolyl)-2-pyrazoline, 4-[3-(1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-, 4-[4,5-DIHYDRO-5- -3- -1H-PYRAZOL-1-YL]-BENZENESULFONAMIDE
| Molecular Formula | C18H15F3N4O2S |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 3.685 |
| Topological Polar Surface Area | 91.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.0868 |
| Heavy Atoms | 28 |
| Complexity | 1167.5089 |
Chemical Identifiers
| CAS Number | 313236-73-6 |
|---|---|
| SMILES | C1C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)C3=CNC4=CC=CC=C43 |
Product Overview
D-Thyroxine (CAS 313236-73-6), with molecular formula C18H15F3N4O2S and molecular weight 408.09 g/mol. IUPAC: 4-[3-(1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
Chemical Property Profile of D-Thyroxine
Property Insights of D-Thyroxine
The XLogP value of 3.685 indicates that D-Thyroxine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.55 Ų falls within the moderate polarity range, balancing permeability and solubility for D-Thyroxine. Following Lipinski's Rule of Five, D-Thyroxine has 2 hydrogen bond donor(s) and 4 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 D-Thyroxine?
The CAS number of D-Thyroxine is 313236-73-6.
What is the molecular formula of D-Thyroxine?
The molecular formula of D-Thyroxine is C18H15F3N4O2S.
What is the molecular weight of D-Thyroxine?
The molecular weight of D-Thyroxine is 408.09 g/mol.
Where can I buy D-Thyroxine?
You can request a quote for D-Thyroxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Thyroxine?
Yes, KEHONG BIO provides custom synthesis services for D-Thyroxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.