7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid
TL;DR: 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid (CAS 130940-73-7) is a chemical compound with molecular formula C20H26INO5S and molecular weight 517.0578 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-7-[(1R,2R,3R,4S)-3-[(4-hydroxy-3-(125I)iodophenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Also Known As: I-S-145-OH, 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid, (Z)-7-[(1R,2R,3R,4S)-3-[(4-hydroxy-3-iodanylphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid, (Z)-7-[(1R,2R,3R,4S)-3-[(4-Hydroxy-3-(125I)iodanylphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Technical Specifications
| Molecular Formula | C20H26INO5S |
| Molecular Weight | 517.0578 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 517.0578 Da |
| Heavy Atoms | 28 |
| Complexity | 677.0 |
| SMILES | C1C[C@H]2C[C@@H]1[C@H]([C@@H]2NS(=O)(=O)C3=CC(=C(C=C3)O)[125I])C/C=C\CCCC(=O)O |
| InChIKey | RILIUTBHQHCVMM-AULLTFLWSA-N |
Chemical Property Profile of 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid
Property Insights of 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid
The XLogP value of 3.9 indicates that 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid. Following Lipinski's Rule of Five, 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid?
The CAS number of 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid is 130940-73-7.
What is the molecular formula of 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid?
The molecular formula of 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid is C20H26INO5S.
What is the molecular weight of 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid?
The molecular weight of 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid is 517.0578 g/mol.
Where can I buy 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid?
You can request a quote for 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid?
Yes, CoreyChem provides custom synthesis services for 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.