![{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol structure](/static/products/921/921789-75-5.png)
{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol
TL;DR: {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol (CAS 921789-75-5) is a chemical compound with molecular formula C19H16ClFN2O3S and molecular weight 406.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
Also Known As: {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol, F2200-0521, (1-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((2-chloro-6-fluorobenzyl)thio)-1H-imidazol-5-yl)methanol, [3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
| Molecular Formula | C19H16ClFN2O3S |
|---|---|
| Molecular Weight | 406.06 g/mol |
| LogP | 4.2372 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.05542 |
| Heavy Atoms | 27 |
| Complexity | 959.3338 |
Chemical Identifiers
| CAS Number | 921789-75-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C(=CN=C3SCC4=C(C=CC=C4Cl)F)CO |
Product Overview
{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol (CAS 921789-75-5), with molecular formula C19H16ClFN2O3S and molecular weight 406.06 g/mol. IUPAC: [3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol.
Chemical Property Profile of {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol
Property Insights of {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol
The XLogP value of 4.2372 indicates that {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol has 1 hydrogen bond donor(s) and 5 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 {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol?
The CAS number of {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol is 921789-75-5.
What is the molecular formula of {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol?
The molecular formula of {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol is C19H16ClFN2O3S.
What is the molecular weight of {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol?
The molecular weight of {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol is 406.06 g/mol.
Where can I buy {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol?
You can request a quote for {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol?
Yes, KEHONG BIO provides custom synthesis services for {1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.