二苄基甲酮
TL;DR: 二苄基甲酮 (CAS 102-04-5) is a chemical compound with molecular formula C15H14O and molecular weight 210.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苄基甲酮
1,3-diphenylpropan-2-one
Also Known As: 1,3-Diphenylacetone, 1,3-diphenylpropan-2-one, DIBENZYL KETONE, 1,3-Diphenyl-2-propanone, Benzyl ketone
| Molecular Formula | C15H14O |
|---|---|
| Molecular Weight | 210.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.10446 |
| Heavy Atoms | 16 |
| Complexity | 187.0 |
| Melting Point | 35 - 36 °C |
| Boiling Point | 330.00 to 331.00 °C. @ 760.00 mm Hg |
| Solubility | insoluble in water; soluble in organic solvents, oils |
Chemical Identifiers
| CAS Number | 102-04-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)CC2=CC=CC=C2 |
| InChIKey | YFKBXYGUSOXJGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苄基甲酮 (CAS 102-04-5), with molecular formula C15H14O and molecular weight 210.10 g/mol. IUPAC: 1,3-diphenylpropan-2-one.
Chemical Property Profile of 二苄基甲酮
Property Insights of 二苄基甲酮
The XLogP value of 3.1 indicates that 二苄基甲酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 二苄基甲酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苄基甲酮 has 0 hydrogen bond donor(s) and 1 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 二苄基甲酮?
The CAS number of 二苄基甲酮 is 102-04-5.
What is the molecular formula of 二苄基甲酮?
The molecular formula of 二苄基甲酮 is C15H14O.
What is the molecular weight of 二苄基甲酮?
The molecular weight of 二苄基甲酮 is 210.10 g/mol.
Where can I buy 二苄基甲酮?
You can request a quote for 二苄基甲酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苄基甲酮?
Yes, KEHONG BIO provides custom synthesis services for 二苄基甲酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.