Pentaerythritol tetraabietate
TL;DR: Pentaerythritol tetraabietate (CAS 74798-17-7) is a chemical compound with molecular formula C85H124O8 and molecular weight 1272.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl]oxy-2,2-bis[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl]oxymethyl]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: Pentaerythritol tetraabietate, Pentalyn H, Pentaerythrityl tetraabietate, PENTAERYTHRITOL, TETRAABIETATE, J3.586.386I
| Molecular Formula | C85H124O8 |
|---|---|
| Molecular Weight | 1272.93 g/mol |
| LogP | 19.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 1272.9296 |
| Heavy Atoms | 93 |
| Complexity | 2780.0 |
Chemical Identifiers
| CAS Number | 74798-17-7 |
|---|---|
| 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)(COC(=O)[C@@]7(CCC[C@]8([C@H]7CC=C9[C@@H]8CCC(=C9)C(C)C)C)C)COC(=O)[C@@]1(CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C)C)C |
| InChIKey | BQSWWPVLPPRSPJ-FIKIKMCASA-N |
Product Overview
Pentaerythritol tetraabietate (CAS 74798-17-7), with molecular formula C85H124O8 and molecular weight 1272.93 g/mol. IUPAC: [3-[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl]oxy-2,2-bis[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl]oxymethyl]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 Pentaerythritol tetraabietate
Property Insights of Pentaerythritol tetraabietate
The XLogP value of 19.9 indicates that Pentaerythritol tetraabietate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythritol tetraabietate. Following Lipinski's Rule of Five, Pentaerythritol tetraabietate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentaerythritol tetraabietate?
The CAS number of Pentaerythritol tetraabietate is 74798-17-7.
What is the molecular formula of Pentaerythritol tetraabietate?
The molecular formula of Pentaerythritol tetraabietate is C85H124O8.
What is the molecular weight of Pentaerythritol tetraabietate?
The molecular weight of Pentaerythritol tetraabietate is 1272.93 g/mol.
Where can I buy Pentaerythritol tetraabietate?
You can request a quote for Pentaerythritol tetraabietate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol tetraabietate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol tetraabietate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.