二茂镍
TL;DR: 二茂镍 (CAS 1271-28-9) is a chemical compound with molecular formula C10H10Ni and molecular weight 188.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二茂镍
bis(cyclopenta-1,3-diene);nickel(2+)
Also Known As: Nickelocene, Nikelocen, Nikelocen [Czech], Nickelocen, Nickelocne
| Molecular Formula | C10H10Ni |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 2.81 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.0136 |
| Heavy Atoms | 11 |
| Complexity | 11.0 |
| Melting Point | 340 to 172.8 °C |
| Solubility | Insoluble (<1 mg/ml at 75 °F) (NTP, 1992) |
| Flash Point | 3.9 °C (8-10% solution in toluene) |
Chemical Identifiers
| CAS Number | 1271-28-9 |
|---|---|
| SMILES | [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ni+2] |
| InChIKey | KZPXREABEBSAQM-UHFFFAOYSA-N |
Product Overview
二茂镍 (CAS 1271-28-9), with molecular formula C10H10Ni and molecular weight 188.01 g/mol. IUPAC: bis(cyclopenta-1,3-diene);nickel(2+).
Chemical Property Profile of 二茂镍
Property Insights of 二茂镍
The XLogP value of 2.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二茂镍. With a topological polar surface area (TPSA) of 0.0 Ų, 二茂镍 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二茂镍 has 0 hydrogen bond donor(s) and 2 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 二茂镍?
The CAS number of 二茂镍 is 1271-28-9.
What is the molecular formula of 二茂镍?
The molecular formula of 二茂镍 is C10H10Ni.
What is the molecular weight of 二茂镍?
The molecular weight of 二茂镍 is 188.01 g/mol.
Where can I buy 二茂镍?
You can request a quote for 二茂镍 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二茂镍?
Yes, KEHONG BIO provides custom synthesis services for 二茂镍 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.