Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)-
TL;DR: Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)- (CAS 101858-87-1) is a chemical compound with molecular formula C11H19IO and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3aR,7aS)-2-[(1S)-1-iodoethyl]-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
Also Known As: 2-(1-Iodoethyl)-2-methyloctahydro-1-benzofuran, Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)-, (2S,3aR,7aS)-2-[(1S)-1-iodoethyl]-2-methyloctahydro-1-benzofuran, (2S,3aR,7aS)-2-[(1S)-1-iodoethyl]-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran, (2S,3aR,7aS)-2-[(1S)-1-iodoethyl]-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-benzofuran
| Molecular Formula | C11H19IO |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.04807 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 101858-87-1 |
|---|---|
| SMILES | C[C@@H]([C@@]1(C[C@H]2CCCC[C@@H]2O1)C)I |
| InChIKey | VALYZDRLRDEJSG-VLEAKVRGSA-N |
Product Overview
Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)- (CAS 101858-87-1), with molecular formula C11H19IO and molecular weight 294.05 g/mol. IUPAC: (2S,3aR,7aS)-2-[(1S)-1-iodoethyl]-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran.
Chemical Property Profile of Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)-
Property Insights of Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)-
The XLogP value of 3.7 indicates that Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)- has 0 hydrogen bond donor(s) and 1 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 Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)-?
The CAS number of Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)- is 101858-87-1.
What is the molecular formula of Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)-?
The molecular formula of Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)- is C11H19IO.
What is the molecular weight of Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)-?
The molecular weight of Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)- is 294.05 g/mol.
Where can I buy Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)-?
You can request a quote for Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)-?
Yes, KEHONG BIO provides custom synthesis services for Benzofuran, octahydro-2-(1-iodoethyl)-2-methyl-, (2alpha(S*),3abeta,7aalpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.