二苯甲烷
TL;DR: 二苯甲烷 (CAS 101-81-5) is a chemical compound with molecular formula C13H12 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯甲烷
benzylbenzene
Also Known As: Diphenylmethane, Benzylbenzene, Ditan, Ditane, Diphenyl methane
| Molecular Formula | C13H12 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0939 |
| Heavy Atoms | 13 |
| Complexity | 111.0 |
| Melting Point | 25.4 °C |
| Boiling Point | 264.5 °C |
| Density | 1.3421 at 10 °C (solid); 1.0008 at 26 °C (liquid) |
| Solubility | In water, 14.1 mg/L at 25 °C |
| Flash Point | 130 °C |
| Vapor Pressure | 0.00821 [mmHg] |
| Refractive Index | 1.57683 at 20 °C |
Chemical Identifiers
| CAS Number | 101-81-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=CC=C2 |
| InChIKey | CZZYITDELCSZES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苯甲烷 (CAS 101-81-5), with molecular formula C13H12 and molecular weight 168.09 g/mol. IUPAC: benzylbenzene.
Chemical Property Profile of 二苯甲烷
Property Insights of 二苯甲烷
The XLogP value of 4.1 indicates that 二苯甲烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 二苯甲烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯甲烷 has 0 hydrogen bond donor(s) and 0 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 二苯甲烷?
The CAS number of 二苯甲烷 is 101-81-5.
What is the molecular formula of 二苯甲烷?
The molecular formula of 二苯甲烷 is C13H12.
What is the molecular weight of 二苯甲烷?
The molecular weight of 二苯甲烷 is 168.09 g/mol.
Where can I buy 二苯甲烷?
You can request a quote for 二苯甲烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯甲烷?
Yes, KEHONG BIO provides custom synthesis services for 二苯甲烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.