3,5-Diethyl-3'-isopropylthyronine
TL;DR: 3,5-Diethyl-3'-isopropylthyronine (CAS 83198-27-0) is a chemical compound with molecular formula C22H29NO4 and molecular weight 371.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[3,5-diethyl-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid
Also Known As: 3,5-Dipt, 3,5-Diethyl-3'-isopropylthyronine, 3,5-Diethyl-3'-isopropyl-D,L-thyronine, 3,5-diethyl-o-[4-hydroxy-3-(propan-2-yl)phenyl]tyrosine, 2-amino-3-[3,5-diethyl-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid
| Molecular Formula | C22H29NO4 |
|---|---|
| Molecular Weight | 371.21 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.20966 |
| Heavy Atoms | 27 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 83198-27-0 |
|---|---|
| SMILES | CCC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(C)C)CC)CC(C(=O)O)N |
| InChIKey | GKJDPEATLHJZAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Diethyl-3'-isopropylthyronine (CAS 83198-27-0), with molecular formula C22H29NO4 and molecular weight 371.21 g/mol. IUPAC: 2-amino-3-[3,5-diethyl-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid.
Chemical Property Profile of 3,5-Diethyl-3'-isopropylthyronine
Property Insights of 3,5-Diethyl-3'-isopropylthyronine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diethyl-3'-isopropylthyronine. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diethyl-3'-isopropylthyronine. Following Lipinski's Rule of Five, 3,5-Diethyl-3'-isopropylthyronine has 3 hydrogen bond donor(s) and 5 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 3,5-Diethyl-3'-isopropylthyronine?
The CAS number of 3,5-Diethyl-3'-isopropylthyronine is 83198-27-0.
What is the molecular formula of 3,5-Diethyl-3'-isopropylthyronine?
The molecular formula of 3,5-Diethyl-3'-isopropylthyronine is C22H29NO4.
What is the molecular weight of 3,5-Diethyl-3'-isopropylthyronine?
The molecular weight of 3,5-Diethyl-3'-isopropylthyronine is 371.21 g/mol.
Where can I buy 3,5-Diethyl-3'-isopropylthyronine?
You can request a quote for 3,5-Diethyl-3'-isopropylthyronine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diethyl-3'-isopropylthyronine?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diethyl-3'-isopropylthyronine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.