2,5-Dimethylphenyl 4-iodobenzenesulfonate
TL;DR: 2,5-Dimethylphenyl 4-iodobenzenesulfonate (CAS 433693-34-6) is a chemical compound with molecular formula C14H13IO3S and molecular weight 387.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dimethylphenyl) 4-iodobenzenesulfonate
Also Known As: 2,5-dimethylphenyl 4-iodobenzenesulfonate, (2,5-dimethylphenyl) 4-iodobenzenesulfonate, AO-548/40917936
| Molecular Formula | C14H13IO3S |
|---|---|
| Molecular Weight | 387.96 g/mol |
| LogP | 3.67574 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.963 |
| Heavy Atoms | 19 |
| Complexity | 691.13104 |
Chemical Identifiers
| CAS Number | 433693-34-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)I |
Product Overview
2,5-Dimethylphenyl 4-iodobenzenesulfonate (CAS 433693-34-6), with molecular formula C14H13IO3S and molecular weight 387.96 g/mol. IUPAC: (2,5-dimethylphenyl) 4-iodobenzenesulfonate.
Chemical Property Profile of 2,5-Dimethylphenyl 4-iodobenzenesulfonate
Property Insights of 2,5-Dimethylphenyl 4-iodobenzenesulfonate
The XLogP value of 3.67574 indicates that 2,5-Dimethylphenyl 4-iodobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2,5-Dimethylphenyl 4-iodobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethylphenyl 4-iodobenzenesulfonate has 0 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 2,5-Dimethylphenyl 4-iodobenzenesulfonate?
The CAS number of 2,5-Dimethylphenyl 4-iodobenzenesulfonate is 433693-34-6.
What is the molecular formula of 2,5-Dimethylphenyl 4-iodobenzenesulfonate?
The molecular formula of 2,5-Dimethylphenyl 4-iodobenzenesulfonate is C14H13IO3S.
What is the molecular weight of 2,5-Dimethylphenyl 4-iodobenzenesulfonate?
The molecular weight of 2,5-Dimethylphenyl 4-iodobenzenesulfonate is 387.96 g/mol.
Where can I buy 2,5-Dimethylphenyl 4-iodobenzenesulfonate?
You can request a quote for 2,5-Dimethylphenyl 4-iodobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethylphenyl 4-iodobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethylphenyl 4-iodobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.