I-Bop
TL;DR: I-Bop (CAS 128719-90-4) is a chemical compound with molecular formula C23H29IO5 and molecular weight 512.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Also Known As: I-BOP, (Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid, CAS_128719-90-4, 7-[(1S,2R,3R,4R)-3-[(1E,3R)-3-HYDROXY-4-(4-IODOPHENOXY)-1-BUTENYL]-7-OXABICYCLO[2.2.1]HEPT-2-YL]-5Z-, (Z)-7-[(1S,4R,5R,6R)-5-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
| Molecular Formula | C23H29IO5 |
|---|---|
| Molecular Weight | 512.11 g/mol |
| LogP | 4.5819 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 512.10596 |
| Heavy Atoms | 29 |
| Complexity | 714.48334 |
Chemical Identifiers
| CAS Number | 128719-90-4 |
|---|---|
| SMILES | C1C[C@@H]2[C@@H]([C@H]([C@H]1O2)C/C=C\CCCC(=O)O)/C=C/[C@H](COC3=CC=C(C=C3)I)O |
Product Overview
I-Bop (CAS 128719-90-4), with molecular formula C23H29IO5 and molecular weight 512.11 g/mol. IUPAC: (Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid.
Chemical Property Profile of I-Bop
Property Insights of I-Bop
The XLogP value of 4.5819 indicates that I-Bop is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.99 Ų falls within the moderate polarity range, balancing permeability and solubility for I-Bop. Following Lipinski's Rule of Five, I-Bop has 2 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-Bop?
The CAS number of I-Bop is 128719-90-4.
What is the molecular formula of I-Bop?
The molecular formula of I-Bop is C23H29IO5.
What is the molecular weight of I-Bop?
The molecular weight of I-Bop is 512.11 g/mol.
Where can I buy I-Bop?
You can request a quote for I-Bop directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I-Bop?
Yes, KEHONG BIO provides custom synthesis services for I-Bop and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.