2-Iodobenzoylacebutolol
TL;DR: 2-Iodobenzoylacebutolol (CAS 72249-69-5) is a chemical compound with molecular formula C21H25IN2O4 and molecular weight 494.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-(125I)iodo(125I)benzamide
Also Known As: 2-Iodobenzoylacebutolol, ortho-Iodobenzoylacebutolol, N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-2-iodobenzamide, N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-(125I)iodanylbenzamide, N (3-acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-2-iodobenzamide
| Molecular Formula | C21H25IN2O4 |
|---|---|
| Molecular Weight | 494.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.08606 |
| Heavy Atoms | 28 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 72249-69-5 |
|---|---|
| SMILES | CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2[125I])C(=O)C)O |
| InChIKey | KXNPTVLZWGRHRX-ONBQKKEBSA-N |
Product Overview
2-Iodobenzoylacebutolol (CAS 72249-69-5), with molecular formula C21H25IN2O4 and molecular weight 494.09 g/mol. IUPAC: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-(125I)iodo(125I)benzamide.
Chemical Property Profile of 2-Iodobenzoylacebutolol
Property Insights of 2-Iodobenzoylacebutolol
The XLogP value of 3.2 indicates that 2-Iodobenzoylacebutolol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Iodobenzoylacebutolol. Following Lipinski's Rule of Five, 2-Iodobenzoylacebutolol has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Iodobenzoylacebutolol?
The CAS number of 2-Iodobenzoylacebutolol is 72249-69-5.
What is the molecular formula of 2-Iodobenzoylacebutolol?
The molecular formula of 2-Iodobenzoylacebutolol is C21H25IN2O4.
What is the molecular weight of 2-Iodobenzoylacebutolol?
The molecular weight of 2-Iodobenzoylacebutolol is 494.09 g/mol.
Where can I buy 2-Iodobenzoylacebutolol?
You can request a quote for 2-Iodobenzoylacebutolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodobenzoylacebutolol?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodobenzoylacebutolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.