3-(4-Methoxyphenyl)-4-phenylbutan-2-one
TL;DR: 3-(4-Methoxyphenyl)-4-phenylbutan-2-one (CAS 6313-97-9) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-4-phenylbutan-2-one
Also Known As: 3-(4-methoxyphenyl)-4-phenylbutan-2-one, 3- -4-phenyl-butan-2-one, Heptanoic acid,2-chloroethyl ester, 2-Butanone,3-(4-methoxyphenyl)-4-phenyl-
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 6313-97-9 |
|---|---|
| SMILES | CC(=O)C(CC1=CC=CC=C1)C2=CC=C(C=C2)OC |
| InChIKey | QOOIXKYFDUCJIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Methoxyphenyl)-4-phenylbutan-2-one (CAS 6313-97-9), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: 3-(4-methoxyphenyl)-4-phenylbutan-2-one.
Chemical Property Profile of 3-(4-Methoxyphenyl)-4-phenylbutan-2-one
Property Insights of 3-(4-Methoxyphenyl)-4-phenylbutan-2-one
The XLogP value of 3.5 indicates that 3-(4-Methoxyphenyl)-4-phenylbutan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(4-Methoxyphenyl)-4-phenylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-4-phenylbutan-2-one has 0 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 3-(4-Methoxyphenyl)-4-phenylbutan-2-one?
The CAS number of 3-(4-Methoxyphenyl)-4-phenylbutan-2-one is 6313-97-9.
What is the molecular formula of 3-(4-Methoxyphenyl)-4-phenylbutan-2-one?
The molecular formula of 3-(4-Methoxyphenyl)-4-phenylbutan-2-one is C17H18O2.
What is the molecular weight of 3-(4-Methoxyphenyl)-4-phenylbutan-2-one?
The molecular weight of 3-(4-Methoxyphenyl)-4-phenylbutan-2-one is 254.13 g/mol.
Where can I buy 3-(4-Methoxyphenyl)-4-phenylbutan-2-one?
You can request a quote for 3-(4-Methoxyphenyl)-4-phenylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyphenyl)-4-phenylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)-4-phenylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.