二叔丁基环戊二烯
TL;DR: 二叔丁基环戊二烯 (CAS 114987-03-0) is a chemical compound with molecular formula C13H22 and molecular weight 178.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二叔丁基环戊二烯
2,5-ditert-butylcyclopenta-1,3-diene
Also Known As: Di-tert-butylcyclopentadiene, 2,5-ditert-butylcyclopenta-1,3-diene, 1,3-di-t-butylcyclopentadiene, 2,5-di-tert-butylcyclopenta-1,3-diene, Di-tert-butyl-1,3-cyclopentadiene
| Molecular Formula | C13H22 |
|---|---|
| Molecular Weight | 178.17 g/mol |
| LogP | 4.191 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.17215 |
| Heavy Atoms | 13 |
| Complexity | 240.19232 |
Chemical Identifiers
| CAS Number | 114987-03-0 |
|---|---|
| SMILES | CC(C)(C)C1C=CC(=C1)C(C)(C)C |
Product Overview
二叔丁基环戊二烯 (CAS 114987-03-0), with molecular formula C13H22 and molecular weight 178.17 g/mol. IUPAC: 2,5-ditert-butylcyclopenta-1,3-diene.
Chemical Property Profile of 二叔丁基环戊二烯
Property Insights of 二叔丁基环戊二烯
The XLogP value of 4.191 indicates that 二叔丁基环戊二烯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 二叔丁基环戊二烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二叔丁基环戊二烯 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 二叔丁基环戊二烯?
The CAS number of 二叔丁基环戊二烯 is 114987-03-0.
What is the molecular formula of 二叔丁基环戊二烯?
The molecular formula of 二叔丁基环戊二烯 is C13H22.
What is the molecular weight of 二叔丁基环戊二烯?
The molecular weight of 二叔丁基环戊二烯 is 178.17 g/mol.
Where can I buy 二叔丁基环戊二烯?
You can request a quote for 二叔丁基环戊二烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二叔丁基环戊二烯?
Yes, KEHONG BIO provides custom synthesis services for 二叔丁基环戊二烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.