p-Xylylene
TL;DR: p-Xylylene (CAS 502-86-3) is a chemical compound with molecular formula C=C1C=CC(=C)C=C1 and molecular weight 104.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethylidenecyclohexa-1,4-diene
Also Known As: p-quinodimethane, p-xylylene, quinodimethane, p-Quinodimethan, 1,4-quinodimethane
| Molecular Formula | C=C1C=CC(=C)C=C1 |
|---|---|
| Molecular Weight | 104.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.0626 |
| Heavy Atoms | 8 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 502-86-3 |
|---|---|
| SMILES | C=C1C=CC(=C)C=C1 |
| InChIKey | NRNFFDZCBYOZJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Xylylene (CAS 502-86-3), with molecular formula C=C1C=CC(=C)C=C1 and molecular weight 104.06 g/mol. IUPAC: 3,6-dimethylidenecyclohexa-1,4-diene.
Chemical Property Profile of p-Xylylene
Property Insights of p-Xylylene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Xylylene. With a topological polar surface area (TPSA) of 0.0 Ų, p-Xylylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Xylylene 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 p-Xylylene?
The CAS number of p-Xylylene is 502-86-3.
What is the molecular formula of p-Xylylene?
The molecular formula of p-Xylylene is C=C1C=CC(=C)C=C1.
What is the molecular weight of p-Xylylene?
The molecular weight of p-Xylylene is 104.06 g/mol.
Where can I buy p-Xylylene?
You can request a quote for p-Xylylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Xylylene?
Yes, KEHONG BIO provides custom synthesis services for p-Xylylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.