N-acetylphenylalanyl-3,5-diiodotyrosine
TL;DR: N-acetylphenylalanyl-3,5-diiodotyrosine (CAS 3786-08-1) is a chemical compound with molecular formula C20H20I2N2O5 and molecular weight 621.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
Also Known As: Itaconamide, APDT, DECABROMOBIPHENYL, N-acetyl-Phe-3,5-diiodo-Tyr, N-Acetylphenylalanyl-3,5-diiodotyrosine
| Molecular Formula | C20H20I2N2O5 |
|---|---|
| Molecular Weight | 621.95 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 621.94617 |
| Heavy Atoms | 29 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 3786-08-1 |
|---|---|
| SMILES | CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC(=C(C(=C2)I)O)I)C(=O)O |
| InChIKey | DWIHCEZUWCRUES-UHFFFAOYSA-N |
Product Overview
N-acetylphenylalanyl-3,5-diiodotyrosine (CAS 3786-08-1), with molecular formula C20H20I2N2O5 and molecular weight 621.95 g/mol. IUPAC: 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid.
Chemical Property Profile of N-acetylphenylalanyl-3,5-diiodotyrosine
Property Insights of N-acetylphenylalanyl-3,5-diiodotyrosine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetylphenylalanyl-3,5-diiodotyrosine. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetylphenylalanyl-3,5-diiodotyrosine. Following Lipinski's Rule of Five, N-acetylphenylalanyl-3,5-diiodotyrosine has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-acetylphenylalanyl-3,5-diiodotyrosine?
The CAS number of N-acetylphenylalanyl-3,5-diiodotyrosine is 3786-08-1.
What is the molecular formula of N-acetylphenylalanyl-3,5-diiodotyrosine?
The molecular formula of N-acetylphenylalanyl-3,5-diiodotyrosine is C20H20I2N2O5.
What is the molecular weight of N-acetylphenylalanyl-3,5-diiodotyrosine?
The molecular weight of N-acetylphenylalanyl-3,5-diiodotyrosine is 621.95 g/mol.
Where can I buy N-acetylphenylalanyl-3,5-diiodotyrosine?
You can request a quote for N-acetylphenylalanyl-3,5-diiodotyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetylphenylalanyl-3,5-diiodotyrosine?
Yes, KEHONG BIO provides custom synthesis services for N-acetylphenylalanyl-3,5-diiodotyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.