地丙苯酮
TL;DR: 地丙苯酮 (CAS 81447-80-5) is a chemical compound with molecular formula C23H31NO3 and molecular weight 369.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地丙苯酮
1-[2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]phenyl]-3-phenylpropan-1-one
Also Known As: Diprafenone, Diprafenona, Diprafenonum, Diprafenone [INN], Butafenone
| Molecular Formula | C23H31NO3 |
|---|---|
| Molecular Weight | 369.23 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 369.2304 |
| Heavy Atoms | 27 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 81447-80-5 |
|---|---|
| SMILES | CCC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O |
| InChIKey | VDKMYSMWQCFYBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
地丙苯酮 (CAS 81447-80-5), with molecular formula C23H31NO3 and molecular weight 369.23 g/mol. IUPAC: 1-[2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]phenyl]-3-phenylpropan-1-one.
Chemical Property Profile of 地丙苯酮
Property Insights of 地丙苯酮
The XLogP value of 3.9 indicates that 地丙苯酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, 地丙苯酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 地丙苯酮 has 2 hydrogen bond donor(s) and 4 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 地丙苯酮?
The CAS number of 地丙苯酮 is 81447-80-5.
What is the molecular formula of 地丙苯酮?
The molecular formula of 地丙苯酮 is C23H31NO3.
What is the molecular weight of 地丙苯酮?
The molecular weight of 地丙苯酮 is 369.23 g/mol.
Where can I buy 地丙苯酮?
You can request a quote for 地丙苯酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地丙苯酮?
Yes, KEHONG BIO provides custom synthesis services for 地丙苯酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.