Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate
TL;DR: Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate (CAS 76318-50-8) is a chemical compound with molecular formula C10H11I2NO3 and molecular weight 446.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate
Also Known As: 3,5-Diiodo-L-tyrosine methyl ester, 2-bromo-3-methyl-N-phenylbutanamide, 3,5-DIIODOTYROSINE METHYL ESTER, METHYL 3,5-DIIODO-L-TYROSINATE, methyl (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate
| Molecular Formula | C10H11I2NO3 |
|---|---|
| Molecular Weight | 446.88 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.88284 |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 76318-50-8 |
|---|---|
| SMILES | COC(=O)C(CC1=CC(=C(C(=C1)I)O)I)N |
| InChIKey | TWUDQOSVGDGRHW-UHFFFAOYSA-N |
Product Overview
Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate (CAS 76318-50-8), with molecular formula C10H11I2NO3 and molecular weight 446.88 g/mol. IUPAC: methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate.
Chemical Property Profile of Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate
Property Insights of Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate. Following Lipinski's Rule of Five, Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate 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 Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate?
The CAS number of Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate is 76318-50-8.
What is the molecular formula of Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate?
The molecular formula of Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate is C10H11I2NO3.
What is the molecular weight of Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate?
The molecular weight of Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate is 446.88 g/mol.
Where can I buy Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate?
You can request a quote for Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.