Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))-
TL;DR: Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))- (CAS 125949-60-2) is a chemical compound with molecular formula C17H28O4 and molecular weight 296.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1aS,2R,3aS,6aS,6bS)-2-hydroxy-2-(hydroxymethyl)-5,5,6b-trimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-1a-yl]methyl acetate
Also Known As: Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))-, [(1aS,2R,3aS,6aS,6bS)-2-hydroxy-2-(hydroxymethyl)-5,5,6b-trimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-1a-yl]methyl acetate, [(1aS,2R,3aS,6aS,6bS)-2-Hydroxy-2-(hydroxymethyl)-5,5,6b-trimethyloctahydrocyclopropa[e]inden-1a(1H)-yl]methyl acetate, [2-Hydroxy-2-(hydroxymethyl)-5,5,6b-trimethyloctahydrocyclopropa[e]inden-1a(1H)-yl]methyl acetate
| Molecular Formula | C17H28O4 |
|---|---|
| Molecular Weight | 296.20 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.19876 |
| Heavy Atoms | 21 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 125949-60-2 |
|---|---|
| SMILES | CC(=O)OC[C@]12C[C@]1([C@H]3CC(C[C@H]3C[C@@]2(CO)O)(C)C)C |
| InChIKey | AIDZBPIBBVPRNL-AYIQCDPPSA-N |
Product Overview
Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))- (CAS 125949-60-2), with molecular formula C17H28O4 and molecular weight 296.20 g/mol. IUPAC: [(1aS,2R,3aS,6aS,6bS)-2-hydroxy-2-(hydroxymethyl)-5,5,6b-trimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-1a-yl]methyl acetate.
Chemical Property Profile of Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))-
Property Insights of Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))-. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))-. Following Lipinski's Rule of Five, Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))-?
The CAS number of Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))- is 125949-60-2.
What is the molecular formula of Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))-?
The molecular formula of Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))- is C17H28O4.
What is the molecular weight of Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))-?
The molecular weight of Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))- is 296.20 g/mol.
Where can I buy Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))-?
You can request a quote for Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))-?
Yes, KEHONG BIO provides custom synthesis services for Cycloprop(e)indene-1a,2(1H)-dimethanol, octahydro-2-hydroxy-5,5,6b-trimethyl-, alpha1a-acetate, (1aS-(1aalpha,2beta,3aalpha,6aalpha,6balpha))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.