Calcium abietate
TL;DR: Calcium abietate (CAS 9007-13-0) is a chemical compound with molecular formula C40H58CaO4 and molecular weight 642.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 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: Calcium abietate, Calcium rosinate, CALCIUM RESINATE, Calcium rosin, Limed rosin
| Molecular Formula | C40H58CaO4 |
|---|---|
| Molecular Weight | 642.40 g/mol |
| LogP | 7.36 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 642.3961 |
| Heavy Atoms | 45 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 9007-13-0 |
|---|---|
| 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.[Ca+2] |
| InChIKey | DWPDSISGRAWLLV-JHZYRPMRSA-L |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium abietate (CAS 9007-13-0), with molecular formula C40H58CaO4 and molecular weight 642.40 g/mol. IUPAC: calcium 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 Calcium abietate
Property Insights of Calcium abietate
The XLogP value of 7.36 indicates that Calcium 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 Calcium abietate. Following Lipinski's Rule of Five, Calcium 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 Calcium abietate?
The CAS number of Calcium abietate is 9007-13-0.
What is the molecular formula of Calcium abietate?
The molecular formula of Calcium abietate is C40H58CaO4.
What is the molecular weight of Calcium abietate?
The molecular weight of Calcium abietate is 642.40 g/mol.
Where can I buy Calcium abietate?
You can request a quote for Calcium abietate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium abietate?
Yes, KEHONG BIO provides custom synthesis services for Calcium abietate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.