醋丁洛尔
TL;DR: 醋丁洛尔 (CAS 37517-30-9) is a chemical compound with molecular formula C18H28N2O4 and molecular weight 336.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
醋丁洛尔
N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
Also Known As: acebutolol, Acetobutolol, dl-Acebutolol, Acebutololo, Neptal
| Molecular Formula | C18H28N2O4 |
|---|---|
| Molecular Weight | 336.20 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 336.2049 |
| Heavy Atoms | 24 |
| Complexity | 400.0 |
| Melting Point | 136-138 |
| Solubility | 259 |
Chemical Identifiers
| CAS Number | 37517-30-9 |
|---|---|
| SMILES | CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C |
| InChIKey | GOEMGAFJFRBGGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
醋丁洛尔 (CAS 37517-30-9), with molecular formula C18H28N2O4 and molecular weight 336.20 g/mol. IUPAC: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide.
Chemical Property Profile of 醋丁洛尔
Property Insights of 醋丁洛尔
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 醋丁洛尔. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 醋丁洛尔. Following Lipinski's Rule of Five, 醋丁洛尔 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 醋丁洛尔?
The CAS number of 醋丁洛尔 is 37517-30-9.
What is the molecular formula of 醋丁洛尔?
The molecular formula of 醋丁洛尔 is C18H28N2O4.
What is the molecular weight of 醋丁洛尔?
The molecular weight of 醋丁洛尔 is 336.20 g/mol.
Where can I buy 醋丁洛尔?
You can request a quote for 醋丁洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 醋丁洛尔?
Yes, KEHONG BIO provides custom synthesis services for 醋丁洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.