丁氨苯丙酮
TL;DR: 丁氨苯丙酮 (CAS 34911-55-2) is a chemical compound with molecular formula C13H18ClNO and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁氨苯丙酮
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one
Also Known As: bupropion, Amfebutamone, Amfebutamon, Wellbutrin, amfebutamonum
| Molecular Formula | C13H18ClNO |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.1077 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
| Melting Point | 233-234 °C |
| Boiling Point | BP: 52 °C at 0.005 mm Hg |
| Solubility | 312 |
Chemical Identifiers
| CAS Number | 34911-55-2 |
|---|---|
| SMILES | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C |
| InChIKey | SNPPWIUOZRMYNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁氨苯丙酮 (CAS 34911-55-2), with molecular formula C13H18ClNO and molecular weight 239.11 g/mol. IUPAC: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one.
Chemical Property Profile of 丁氨苯丙酮
Property Insights of 丁氨苯丙酮
The XLogP value of 3.2 indicates that 丁氨苯丙酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 丁氨苯丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁氨苯丙酮 has 1 hydrogen bond donor(s) and 2 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 丁氨苯丙酮?
The CAS number of 丁氨苯丙酮 is 34911-55-2.
What is the molecular formula of 丁氨苯丙酮?
The molecular formula of 丁氨苯丙酮 is C13H18ClNO.
What is the molecular weight of 丁氨苯丙酮?
The molecular weight of 丁氨苯丙酮 is 239.11 g/mol.
Where can I buy 丁氨苯丙酮?
You can request a quote for 丁氨苯丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁氨苯丙酮?
Yes, KEHONG BIO provides custom synthesis services for 丁氨苯丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.