Zinc abietate
TL;DR: Zinc abietate (CAS 6798-76-1) is a chemical compound with molecular formula C40H58O4Zn and molecular weight 666.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
zinc bis((1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate)
Also Known As: Zinc Abietate, Abietic acid, zinc salt, Zinc abietate, technical, Diabietic acid zinc salt, C20H30O2.1/2Zn
| Molecular Formula | C40H58O4Zn |
|---|---|
| Molecular Weight | 666.36 g/mol |
| LogP | 7.74 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 666.3627 |
| Heavy Atoms | 45 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 6798-76-1 |
|---|---|
| SMILES | CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)[O-])C.CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)[O-])C.[Zn+2] |
| InChIKey | MXODCLTZTIFYDV-JHZYRPMRSA-L |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zinc abietate (CAS 6798-76-1), with molecular formula C40H58O4Zn and molecular weight 666.36 g/mol. IUPAC: zinc bis((1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate).
Chemical Property Profile of Zinc abietate
Property Insights of Zinc abietate
The XLogP value of 7.74 indicates that Zinc 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 Zinc abietate. Following Lipinski's Rule of Five, Zinc 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 Zinc abietate?
The CAS number of Zinc abietate is 6798-76-1.
What is the molecular formula of Zinc abietate?
The molecular formula of Zinc abietate is C40H58O4Zn.
What is the molecular weight of Zinc abietate?
The molecular weight of Zinc abietate is 666.36 g/mol.
Where can I buy Zinc abietate?
You can request a quote for Zinc abietate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zinc abietate?
Yes, KEHONG BIO provides custom synthesis services for Zinc abietate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.