I-Pta-OH
TL;DR: I-Pta-OH (CAS 97228-80-3) is a chemical compound with molecular formula C25H36INO4 and molecular weight 541.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Also Known As: I-Pta-OH, [125I]PTA-OH, PDSP1_000457, PDSP2_000455, J3.052.676G
| Molecular Formula | C25H36INO4 |
|---|---|
| Molecular Weight | 541.17 g/mol |
| LogP | 4.7418 |
| Topological Polar Surface Area | 89.79 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 541.1689 |
| Heavy Atoms | 31 |
| Complexity | 793.7267 |
Chemical Identifiers
| CAS Number | 97228-80-3 |
|---|---|
| SMILES | CC1(C2CC1C(C(C2)NCC(CC3=CC(=C(C=C3)O)I)O)C/C=C/CCCC(=O)O)C |
Product Overview
I-Pta-OH (CAS 97228-80-3), with molecular formula C25H36INO4 and molecular weight 541.17 g/mol. IUPAC: (E)-7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid.
Chemical Property Profile of I-Pta-OH
Property Insights of I-Pta-OH
The XLogP value of 4.7418 indicates that I-Pta-OH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.79 Ų falls within the moderate polarity range, balancing permeability and solubility for I-Pta-OH. Following Lipinski's Rule of Five, I-Pta-OH has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of I-Pta-OH?
The CAS number of I-Pta-OH is 97228-80-3.
What is the molecular formula of I-Pta-OH?
The molecular formula of I-Pta-OH is C25H36INO4.
What is the molecular weight of I-Pta-OH?
The molecular weight of I-Pta-OH is 541.17 g/mol.
Where can I buy I-Pta-OH?
You can request a quote for I-Pta-OH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I-Pta-OH?
Yes, KEHONG BIO provides custom synthesis services for I-Pta-OH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.