3-Iodobenzoylacebutolol
TL;DR: 3-Iodobenzoylacebutolol (CAS 27125-06-0) is a chemical compound with molecular formula C21H25IN2O4 and molecular weight 496.09 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]-3-iodobenzamide
Also Known As: 3-Iodobenzoylacebutolol, meta-Iodobenzoylacebutolol, N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-iodobenzamide, n-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}-3-iodobenzamide, N-(3-Acetyl-4-(2-hydroxy-3-(1-methylethyl)amino)propoxy)phenyl-3-iodobenzamide
| Molecular Formula | C21H25IN2O4 |
|---|---|
| Molecular Weight | 496.09 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 | 496.0859 |
| Heavy Atoms | 28 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 27125-06-0 |
|---|---|
| SMILES | CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)I)C(=O)C)O |
| InChIKey | INNWGBHHCCXSGM-UHFFFAOYSA-N |
Product Overview
3-Iodobenzoylacebutolol (CAS 27125-06-0), with molecular formula C21H25IN2O4 and molecular weight 496.09 g/mol. IUPAC: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-iodobenzamide.
Chemical Property Profile of 3-Iodobenzoylacebutolol
Property Insights of 3-Iodobenzoylacebutolol
The XLogP value of 3.2 indicates that 3-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 3-Iodobenzoylacebutolol. Following Lipinski's Rule of Five, 3-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 3-Iodobenzoylacebutolol?
The CAS number of 3-Iodobenzoylacebutolol is 27125-06-0.
What is the molecular formula of 3-Iodobenzoylacebutolol?
The molecular formula of 3-Iodobenzoylacebutolol is C21H25IN2O4.
What is the molecular weight of 3-Iodobenzoylacebutolol?
The molecular weight of 3-Iodobenzoylacebutolol is 496.09 g/mol.
Where can I buy 3-Iodobenzoylacebutolol?
You can request a quote for 3-Iodobenzoylacebutolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodobenzoylacebutolol?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodobenzoylacebutolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.