Thorectandrol A
TL;DR: Thorectandrol A (CAS 346578-57-2) is a chemical compound with molecular formula C25H38O3 and molecular weight 386.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(E)-5-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-enyl]-3-(hydroxymethyl)-2H-furan-5-one
Also Known As: Thorectandrol A, J1.540.264D, (2R)-2-[(E)-5-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-enyl]-3-(hydroxymethyl)-2H-furan-5-one, (2R)-2-((E)-5-((1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-3-methylpent-2-enyl)-3-(hydroxymethyl)-2H-furan-5-one, (5R)-4-(Hydroxymethyl)-5-[(2E)-3-methyl-5-[(1R,8aalpha)-1,2beta,4abeta-trimethyl-5-methylenedecalin-1alpha-yl]-2-pentenyl]furan-2(5H)-one
| Molecular Formula | C25H38O3 |
|---|---|
| Molecular Weight | 386.28 g/mol |
| LogP | 5.7459 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.2821 |
| Heavy Atoms | 28 |
| Complexity | 687.90656 |
Chemical Identifiers
| CAS Number | 346578-57-2 |
|---|---|
| SMILES | C[C@H]1CC[C@]2([C@H]([C@]1(C)CC/C(=C/C[C@@H]3C(=CC(=O)O3)CO)/C)CCCC2=C)C |
Product Overview
Thorectandrol A (CAS 346578-57-2), with molecular formula C25H38O3 and molecular weight 386.28 g/mol. IUPAC: (2R)-2-[(E)-5-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-enyl]-3-(hydroxymethyl)-2H-furan-5-one.
Chemical Property Profile of Thorectandrol A
Property Insights of Thorectandrol A
The XLogP value of 5.7459 indicates that Thorectandrol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Thorectandrol A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thorectandrol A has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thorectandrol A?
The CAS number of Thorectandrol A is 346578-57-2.
What is the molecular formula of Thorectandrol A?
The molecular formula of Thorectandrol A is C25H38O3.
What is the molecular weight of Thorectandrol A?
The molecular weight of Thorectandrol A is 386.28 g/mol.
Where can I buy Thorectandrol A?
You can request a quote for Thorectandrol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thorectandrol A?
Yes, KEHONG BIO provides custom synthesis services for Thorectandrol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.