![[2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol structure](/static/products/222/222021-59-2.png)
[2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol
TL;DR: [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol (CAS 222021-59-2) is a chemical compound with molecular formula C16H18INOS and molecular weight 399.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-5-iodophenyl]methanol
Also Known As: Kefocin (TN), J1.078.793I, [2-[[2-[(dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol, [2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-5-iodophenyl]methanol, BRD-K76630978-001-01-4
| Molecular Formula | C16H18INOS |
|---|---|
| Molecular Weight | 399.02 g/mol |
| LogP | 3.9963 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.01538 |
| Heavy Atoms | 20 |
| Complexity | 586.4396 |
Chemical Identifiers
| CAS Number | 222021-59-2 |
|---|---|
| SMILES | CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)I)CO |
Product Overview
[2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol (CAS 222021-59-2), with molecular formula C16H18INOS and molecular weight 399.02 g/mol. IUPAC: [2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-5-iodophenyl]methanol.
Chemical Property Profile of [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol
Property Insights of [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol
The XLogP value of 3.9963 indicates that [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol has 1 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-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol?
The CAS number of [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol is 222021-59-2.
What is the molecular formula of [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol?
The molecular formula of [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol is C16H18INOS.
What is the molecular weight of [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol?
The molecular weight of [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol is 399.02 g/mol.
Where can I buy [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol?
You can request a quote for [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol?
Yes, KEHONG BIO provides custom synthesis services for [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.