Glyceryl triabietate
TL;DR: Glyceryl triabietate (CAS 23577-41-5) is a chemical compound with molecular formula C63H92O6 and molecular weight 944.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl]oxy]propyl (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: Glyceryl triabietate, Glycerol triabietate, Abietic acid glyceride, Gluceryl triabietate, J1.036.773E
| Molecular Formula | C63H92O6 |
|---|---|
| Molecular Weight | 944.69 g/mol |
| LogP | 14.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 944.6894 |
| Heavy Atoms | 69 |
| Complexity | 2130.0 |
Chemical Identifiers
| CAS Number | 23577-41-5 |
|---|---|
| SMILES | CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)OCC(COC(=O)[C@@]4(CCC[C@]5([C@H]4CC=C6[C@@H]5CCC(=C6)C(C)C)C)C)OC(=O)[C@@]7(CCC[C@]8([C@H]7CC=C9[C@@H]8CCC(=C9)C(C)C)C)C)C |
| InChIKey | YDRDTDKISFMAQR-SBGDMIGBSA-N |
Product Overview
Glyceryl triabietate (CAS 23577-41-5), with molecular formula C63H92O6 and molecular weight 944.69 g/mol. IUPAC: 2,3-bis[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl]oxy]propyl (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 Glyceryl triabietate
Property Insights of Glyceryl triabietate
The XLogP value of 14.9 indicates that Glyceryl triabietate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Glyceryl triabietate. Following Lipinski's Rule of Five, Glyceryl triabietate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glyceryl triabietate?
The CAS number of Glyceryl triabietate is 23577-41-5.
What is the molecular formula of Glyceryl triabietate?
The molecular formula of Glyceryl triabietate is C63H92O6.
What is the molecular weight of Glyceryl triabietate?
The molecular weight of Glyceryl triabietate is 944.69 g/mol.
Where can I buy Glyceryl triabietate?
You can request a quote for Glyceryl triabietate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glyceryl triabietate?
Yes, KEHONG BIO provides custom synthesis services for Glyceryl triabietate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.