环丁二烯
TL;DR: 环丁二烯 (CAS 1120-53-2) is a chemical compound with molecular formula C1=CC=C1 and molecular weight 52.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环丁二烯
cyclobutadiene
Also Known As: Cyclobutadiene, cyclobuta-1,3-diene, 1,3-Cyclobutadiene, Annulene, annulenes
| Molecular Formula | C1=CC=C1 |
|---|---|
| Molecular Weight | 52.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 52.0313 |
| Heavy Atoms | 4 |
| Complexity | 33.0 |
Chemical Identifiers
| CAS Number | 1120-53-2 |
|---|---|
| SMILES | C1=CC=C1 |
| InChIKey | HWEQKSVYKBUIIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环丁二烯 (CAS 1120-53-2), with molecular formula C1=CC=C1 and molecular weight 52.03 g/mol. IUPAC: cyclobutadiene.
Chemical Property Profile of 环丁二烯
Property Insights of 环丁二烯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环丁二烯. With a topological polar surface area (TPSA) of 0.0 Ų, 环丁二烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环丁二烯 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 环丁二烯?
The CAS number of 环丁二烯 is 1120-53-2.
What is the molecular formula of 环丁二烯?
The molecular formula of 环丁二烯 is C1=CC=C1.
What is the molecular weight of 环丁二烯?
The molecular weight of 环丁二烯 is 52.03 g/mol.
Where can I buy 环丁二烯?
You can request a quote for 环丁二烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环丁二烯?
Yes, KEHONG BIO provides custom synthesis services for 环丁二烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.