3,5-二甲基联苯
TL;DR: 3,5-二甲基联苯 (CAS 17057-88-4) is a chemical compound with molecular formula C14H14 and molecular weight 182.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二甲基联苯
1,3-dimethyl-5-phenylbenzene
Also Known As: 3,5-dimethylbiphenyl, 3,5-Dimethyl-1,1'-biphenyl, 3,5-Dimethyl-biphenyl, 1,3-dimethyl-5-phenylbenzene, 1,1'-Biphenyl,3,5-dimethyl-
| Molecular Formula | C14H14 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.10954 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 17057-88-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C2=CC=CC=C2)C |
| InChIKey | QUHIUAFQBFDMIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二甲基联苯 (CAS 17057-88-4), with molecular formula C14H14 and molecular weight 182.11 g/mol. IUPAC: 1,3-dimethyl-5-phenylbenzene.
Chemical Property Profile of 3,5-二甲基联苯
Property Insights of 3,5-二甲基联苯
The XLogP value of 4.3 indicates that 3,5-二甲基联苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-二甲基联苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二甲基联苯 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 3,5-二甲基联苯?
The CAS number of 3,5-二甲基联苯 is 17057-88-4.
What is the molecular formula of 3,5-二甲基联苯?
The molecular formula of 3,5-二甲基联苯 is C14H14.
What is the molecular weight of 3,5-二甲基联苯?
The molecular weight of 3,5-二甲基联苯 is 182.11 g/mol.
Where can I buy 3,5-二甲基联苯?
You can request a quote for 3,5-二甲基联苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二甲基联苯?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二甲基联苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.