2,5-二甲基苯基-4-甲苯磺酸盐
TL;DR: 2,5-二甲基苯基-4-甲苯磺酸盐 (CAS 25085-37-4) is a chemical compound with molecular formula C15H16O3S and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-二甲基苯基-4-甲苯磺酸盐
(2,5-dimethylphenyl) 4-methylbenzenesulfonate
Also Known As: 2,5-dimethylphenyl 4-methylbenzenesulfonate, (2,5-dimethylphenyl) 4-methylbenzenesulfonate, 2,5-dimethylphenyl 4-methylbenzene-1-sulfonate, 2,5-Dimethylphenyl-p-toluolsulfonat, J3.570.356J
| Molecular Formula | C15H16O3S |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.082 |
| Heavy Atoms | 19 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 25085-37-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C)C |
| InChIKey | JRDJDWOQIDHKKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-二甲基苯基-4-甲苯磺酸盐 (CAS 25085-37-4), with molecular formula C15H16O3S and molecular weight 276.08 g/mol. IUPAC: (2,5-dimethylphenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 2,5-二甲基苯基-4-甲苯磺酸盐
Property Insights of 2,5-二甲基苯基-4-甲苯磺酸盐
The XLogP value of 4.1 indicates that 2,5-二甲基苯基-4-甲苯磺酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2,5-二甲基苯基-4-甲苯磺酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-二甲基苯基-4-甲苯磺酸盐 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 2,5-二甲基苯基-4-甲苯磺酸盐?
The CAS number of 2,5-二甲基苯基-4-甲苯磺酸盐 is 25085-37-4.
What is the molecular formula of 2,5-二甲基苯基-4-甲苯磺酸盐?
The molecular formula of 2,5-二甲基苯基-4-甲苯磺酸盐 is C15H16O3S.
What is the molecular weight of 2,5-二甲基苯基-4-甲苯磺酸盐?
The molecular weight of 2,5-二甲基苯基-4-甲苯磺酸盐 is 276.08 g/mol.
Where can I buy 2,5-二甲基苯基-4-甲苯磺酸盐?
You can request a quote for 2,5-二甲基苯基-4-甲苯磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-二甲基苯基-4-甲苯磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 2,5-二甲基苯基-4-甲苯磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.