Barium abietate
TL;DR: Barium abietate (CAS 66104-41-4) is a chemical compound with molecular formula C40H58BaO4 and molecular weight 740.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate);barium(2+)
Also Known As: Barium abietate, Barium abietate, technical, barium diabieta-8,13-dien-18-oate, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, barium salt, (1R,4aR,4bR,10aR)-, 1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate; barium(2+)
| Molecular Formula | C40H58BaO4 |
|---|---|
| Molecular Weight | 740.34 g/mol |
| LogP | 7.65 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 740.33875 |
| Heavy Atoms | 45 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 66104-41-4 |
|---|---|
| SMILES | CC(C)C1=CC2=C(CC1)C3(CCCC(C3CC2)(C)C(=O)[O-])C.CC(C)C1=CC2=C(CC1)C3(CCCC(C3CC2)(C)C(=O)[O-])C.[Ba+2] |
| InChIKey | YOMHZOAZHYKTFZ-UHFFFAOYSA-L |
Product Overview
Barium abietate (CAS 66104-41-4), with molecular formula C40H58BaO4 and molecular weight 740.34 g/mol. IUPAC: bis(1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate);barium(2+).
Chemical Property Profile of Barium abietate
Property Insights of Barium abietate
The XLogP value of 7.65 indicates that Barium abietate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barium abietate. Following Lipinski's Rule of Five, Barium abietate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Barium abietate?
The CAS number of Barium abietate is 66104-41-4.
What is the molecular formula of Barium abietate?
The molecular formula of Barium abietate is C40H58BaO4.
What is the molecular weight of Barium abietate?
The molecular weight of Barium abietate is 740.34 g/mol.
Where can I buy Barium abietate?
You can request a quote for Barium abietate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium abietate?
Yes, KEHONG BIO provides custom synthesis services for Barium abietate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.