乙酰苯乙妥因
TL;DR: 乙酰苯乙妥因 (CAS 13402-08-9) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰苯乙妥因
N-(acetylcarbamoyl)-2-phenylbutanamide
Also Known As: acetylpheneturide, Crampol, Crampole, Crampol (TN), Acetylpheneturide [JAN]
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 13402-08-9 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C |
| InChIKey | GBPZSCQLDXUGNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酰苯乙妥因 (CAS 13402-08-9), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: N-(acetylcarbamoyl)-2-phenylbutanamide.
Chemical Property Profile of 乙酰苯乙妥因
Property Insights of 乙酰苯乙妥因
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰苯乙妥因. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙酰苯乙妥因. Following Lipinski's Rule of Five, 乙酰苯乙妥因 has 2 hydrogen bond donor(s) and 3 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 乙酰苯乙妥因?
The CAS number of 乙酰苯乙妥因 is 13402-08-9.
What is the molecular formula of 乙酰苯乙妥因?
The molecular formula of 乙酰苯乙妥因 is C13H16N2O3.
What is the molecular weight of 乙酰苯乙妥因?
The molecular weight of 乙酰苯乙妥因 is 248.12 g/mol.
Where can I buy 乙酰苯乙妥因?
You can request a quote for 乙酰苯乙妥因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰苯乙妥因?
Yes, KEHONG BIO provides custom synthesis services for 乙酰苯乙妥因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.