Iron, (1,3-butadiene)tricarbonyl-
TL;DR: Iron, (1,3-butadiene)tricarbonyl- (CAS 12078-32-9) is a chemical compound with molecular formula C7H2FeO3 and molecular weight 189.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Tricarbonylbutadiene iron, Butadiene iron tricarbonyl, Butadiene tricarbonyl iron, 1,3-Butadiene iron tricarbonyl, Tricarbonyl(1,3-butadiene)iron
| Molecular Formula | C7H2FeO3 |
|---|---|
| Molecular Weight | 189.94 g/mol |
| LogP | 0.46 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.93533 |
| Heavy Atoms | 11 |
| Complexity | 12.0 |
Chemical Identifiers
| CAS Number | 12078-32-9 |
|---|---|
| SMILES | [CH][C][C][CH].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe] |
| InChIKey | YKZYNZUXJMHMKZ-UHFFFAOYSA-N |
Product Overview
Iron, (1,3-butadiene)tricarbonyl- (CAS 12078-32-9), with molecular formula C7H2FeO3 and molecular weight 189.94 g/mol.
Chemical Property Profile of Iron, (1,3-butadiene)tricarbonyl-
Property Insights of Iron, (1,3-butadiene)tricarbonyl-
The XLogP value of 0.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iron, (1,3-butadiene)tricarbonyl-. With a topological polar surface area (TPSA) of 3.0 Ų, Iron, (1,3-butadiene)tricarbonyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iron, (1,3-butadiene)tricarbonyl- has 0 hydrogen bond donor(s) and 3 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 Iron, (1,3-butadiene)tricarbonyl-?
The CAS number of Iron, (1,3-butadiene)tricarbonyl- is 12078-32-9.
What is the molecular formula of Iron, (1,3-butadiene)tricarbonyl-?
The molecular formula of Iron, (1,3-butadiene)tricarbonyl- is C7H2FeO3.
What is the molecular weight of Iron, (1,3-butadiene)tricarbonyl-?
The molecular weight of Iron, (1,3-butadiene)tricarbonyl- is 189.94 g/mol.
Where can I buy Iron, (1,3-butadiene)tricarbonyl-?
You can request a quote for Iron, (1,3-butadiene)tricarbonyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iron, (1,3-butadiene)tricarbonyl-?
Yes, KEHONG BIO provides custom synthesis services for Iron, (1,3-butadiene)tricarbonyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.