2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)-
TL;DR: 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)- (CAS 101915-77-9) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl]methyl 2-methylpropanoate
Also Known As: 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)-, [(2R,3aR,7aS)-Octahydro-1-benzofuran-2-yl]methyl 2-methylpropanoate, [(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl]methyl 2-methylpropanoate, [(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydrobenzofuran-2-yl]methyl 2-methylpropanoate
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 101915-77-9 |
|---|---|
| SMILES | CC(C)C(=O)OC[C@H]1C[C@H]2CCCC[C@@H]2O1 |
| InChIKey | RVJYYNXJGTVTBF-UTUOFQBUSA-N |
Product Overview
2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)- (CAS 101915-77-9), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: [(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl]methyl 2-methylpropanoate.
Chemical Property Profile of 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)-
Property Insights of 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)-. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)- 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 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)-?
The CAS number of 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)- is 101915-77-9.
What is the molecular formula of 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)-?
The molecular formula of 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)- is C13H22O3.
What is the molecular weight of 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)-?
The molecular weight of 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)- is 226.16 g/mol.
Where can I buy 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)-?
You can request a quote for 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzofuranmethanol, octahydro-alpha,alpha-dimethyl-, acetate, (2alpha,3abeta,7aalpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.