3-Monoiodothyronine
TL;DR: 3-Monoiodothyronine (CAS 29354-16-3) is a chemical compound with molecular formula C15H14INO4 and molecular weight 399.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanoic acid
Also Known As: 3-Iodothyronine, 3-monoiodothyronine, 3-Iodo-L-thyronine, 3-iodo-DL-thyronine, O-(4-Hydroxyphenyl)-3-iodotyrosine
| Molecular Formula | C15H14INO4 |
|---|---|
| Molecular Weight | 399.00 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.99677 |
| Heavy Atoms | 21 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 29354-16-3 |
|---|---|
| SMILES | C1=CC(=CC=C1O)OC2=C(C=C(C=C2)CC(C(=O)O)N)I |
| InChIKey | SXQVOFSDWXYIRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Monoiodothyronine (CAS 29354-16-3), with molecular formula C15H14INO4 and molecular weight 399.00 g/mol. IUPAC: 2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanoic acid.
Chemical Property Profile of 3-Monoiodothyronine
Property Insights of 3-Monoiodothyronine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Monoiodothyronine. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Monoiodothyronine. Following Lipinski's Rule of Five, 3-Monoiodothyronine 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-Monoiodothyronine?
The CAS number of 3-Monoiodothyronine is 29354-16-3.
What is the molecular formula of 3-Monoiodothyronine?
The molecular formula of 3-Monoiodothyronine is C15H14INO4.
What is the molecular weight of 3-Monoiodothyronine?
The molecular weight of 3-Monoiodothyronine is 399.00 g/mol.
Where can I buy 3-Monoiodothyronine?
You can request a quote for 3-Monoiodothyronine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Monoiodothyronine?
Yes, KEHONG BIO provides custom synthesis services for 3-Monoiodothyronine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.