Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide
TL;DR: Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide (CAS 111790-41-1) is a chemical compound with molecular formula C21H29IN4O4S and molecular weight 560.0954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-iodophenyl)propanoylamino]ethyl]pentanamide
Also Known As: Baehpp, Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide, Biotinylamidoethyl 3-(4-hydroxy-3-iodophenyl)propionamide, 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-iodophenyl)propanoylamino]ethyl]pentanamide, 1H-Thieno(3,4-d)imidazole-4-pentanamide, hexahydro-N-(2-((3-(4-hydroxy-3-iodophenyl)-1-oxopropyl)amino)ethyl)-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-
Technical Specifications
| Molecular Formula | C21H29IN4O4S |
| Molecular Weight | 560.0954 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 560.0954 Da |
| Heavy Atoms | 31 |
| Complexity | 641.0 |
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCNC(=O)CCC3=CC(=C(C=C3)O)I)NC(=O)N2 |
| InChIKey | ODFFLADJFTXWGN-KNBMTAEXSA-N |
Chemical Property Profile of Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide
Property Insights of Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide. The TPSA of 145.0 Ų indicates high polarity, suggesting Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide?
The CAS number of Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide is 111790-41-1.
What is the molecular formula of Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide?
The molecular formula of Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide is C21H29IN4O4S.
What is the molecular weight of Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide?
The molecular weight of Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide is 560.0954 g/mol.
Where can I buy Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide?
You can request a quote for Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide?
Yes, CoreyChem provides custom synthesis services for Biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.