![2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran structure](/static/products/1018/101858-88-2.webp)
2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran
TL;DR: 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran (CAS 101858-88-2) is a chemical compound with molecular formula C17H23IO2 and molecular weight 386.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3aR,7aS)-2-[(1S)-1-iodo-2-phenylmethoxyethyl]-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
Also Known As: 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran, Benzofuran, octahydro-2-(1-iodo-2-(phenylmethoxy)ethyl)-, (2alpha(S*),3abeta,7aalpha)-, (2S,3aR,7aS)-2-[(1S)-2-(benzyloxy)-1-iodoethyl]octahydro-1-benzofuran, (2S,3aR,7aS)-2-[(1S)-1-iodo-2-phenylmethoxyethyl]-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran, (2S,3aS,7aR)-2-[(1S)-1-iodo-2-phenylmethoxy-ethyl]-2,3,3a,4,5,6,7,7a-octahydrobenzofuran
| Molecular Formula | C17H23IO2 |
|---|---|
| Molecular Weight | 386.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.07428 |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 101858-88-2 |
|---|---|
| SMILES | C1CC[C@H]2[C@H](C1)C[C@H](O2)[C@H](COCC3=CC=CC=C3)I |
| InChIKey | SIKWBPNELSJGCW-QZWWFDLISA-N |
Product Overview
2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran (CAS 101858-88-2), with molecular formula C17H23IO2 and molecular weight 386.07 g/mol. IUPAC: (2S,3aR,7aS)-2-[(1S)-1-iodo-2-phenylmethoxyethyl]-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran.
Chemical Property Profile of 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran
Property Insights of 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran
The XLogP value of 4.3 indicates that 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran has 0 hydrogen bond donor(s) and 2 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-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran?
The CAS number of 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran is 101858-88-2.
What is the molecular formula of 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran?
The molecular formula of 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran is C17H23IO2.
What is the molecular weight of 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran?
The molecular weight of 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran is 386.07 g/mol.
Where can I buy 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran?
You can request a quote for 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Benzyloxy)-1-iodoethyl]octahydro-1-benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.