![2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran structure](/static/products/1018/101858-82-6.webp)
2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran
TL;DR: 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran (CAS 101858-82-6) 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,3R,4aS,8aR)-3-iodo-2-(phenylmethoxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
Also Known As: 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran, (2S,3R,4aS,8aR)-3-iodo-2-(phenylmethoxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene, (2S,3R,4aS,8aR)-2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran, 2H-1-Benzopyran, octahydro-3-iodo-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)-, 2H-1-Benzopyran, octahydro-3-iodo-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)-
| 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 | 4 |
| Exact Mass | 386.07428 |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 101858-82-6 |
|---|---|
| SMILES | C1CC[C@@H]2[C@@H](C1)C[C@H]([C@@H](O2)COCC3=CC=CC=C3)I |
| InChIKey | BUXXHYNVHFFWEO-HZMVEIRTSA-N |
Product Overview
2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran (CAS 101858-82-6), with molecular formula C17H23IO2 and molecular weight 386.07 g/mol. IUPAC: (2S,3R,4aS,8aR)-3-iodo-2-(phenylmethoxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.
Chemical Property Profile of 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran
Property Insights of 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran
The XLogP value of 4.3 indicates that 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran 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-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran 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-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran?
The CAS number of 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran is 101858-82-6.
What is the molecular formula of 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran?
The molecular formula of 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran is C17H23IO2.
What is the molecular weight of 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran?
The molecular weight of 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran is 386.07 g/mol.
Where can I buy 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran?
You can request a quote for 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Benzyloxy)methyl]-3-iodooctahydro-2H-1-benzopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.