(2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate
TL;DR: (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate (CAS 958803-41-3) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl] acetate
Also Known As: 2-Methyloctahydro-2H-1-benzopyran-3-yl acetate, (2S,3R,4aS,8aR)-2-methyloctahydro-2H-chromen-3-yl acetate, (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate, (2S,3R,4aS,8aR)-2-Methyloctahydro-2H-1-benzopyran-3-yl acetate, [(2S,3R,4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl] Acetate
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 958803-41-3 |
|---|---|
| SMILES | C[C@H]1[C@@H](C[C@@H]2CCCC[C@H]2O1)OC(=O)C |
| InChIKey | XNGGRZLVZCGQMR-OHBODLIOSA-N |
Product Overview
(2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate (CAS 958803-41-3), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: [(2S,3R,4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl] acetate.
Chemical Property Profile of (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate
Property Insights of (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate. With a topological polar surface area (TPSA) of 35.5 Ų, (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate has 0 hydrogen bond donor(s) and 3 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 (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate?
The CAS number of (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate is 958803-41-3.
What is the molecular formula of (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate?
The molecular formula of (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate is C12H20O3.
What is the molecular weight of (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate?
The molecular weight of (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate is 212.14 g/mol.
Where can I buy (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate?
You can request a quote for (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R,4aS,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.