3-乙基-2,4,5-三甲基苯磺酸
TL;DR: 3-乙基-2,4,5-三甲基苯磺酸 (CAS 500588-97-6) is a chemical compound with molecular formula C11H16O3S and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙基-2,4,5-三甲基苯磺酸
3-ethyl-2,4,5-trimethylbenzenesulfonic acid
Also Known As: 3-ethyl-2,4,5-trimethylbenzenesulfonic acid, Benzenesulfonicacid,3-ethyl-2,4,5-trimethyl-, BENZENESULFONIC ACID, 3-ETHYL-2,4,5-TRIMETHYL-, Benzenesulfonic acid, 3-ethyl-2,4,5-trimethyl- (9CI)
| Molecular Formula | C11H16O3S |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.08202 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 500588-97-6 |
|---|---|
| SMILES | CCC1=C(C(=CC(=C1C)S(=O)(=O)O)C)C |
| InChIKey | GZXVNVVCFMEVAS-UHFFFAOYSA-N |
Product Overview
3-乙基-2,4,5-三甲基苯磺酸 (CAS 500588-97-6), with molecular formula C11H16O3S and molecular weight 228.08 g/mol. IUPAC: 3-ethyl-2,4,5-trimethylbenzenesulfonic acid.
Chemical Property Profile of 3-乙基-2,4,5-三甲基苯磺酸
Property Insights of 3-乙基-2,4,5-三甲基苯磺酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙基-2,4,5-三甲基苯磺酸. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-乙基-2,4,5-三甲基苯磺酸. Following Lipinski's Rule of Five, 3-乙基-2,4,5-三甲基苯磺酸 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 3-乙基-2,4,5-三甲基苯磺酸?
The CAS number of 3-乙基-2,4,5-三甲基苯磺酸 is 500588-97-6.
What is the molecular formula of 3-乙基-2,4,5-三甲基苯磺酸?
The molecular formula of 3-乙基-2,4,5-三甲基苯磺酸 is C11H16O3S.
What is the molecular weight of 3-乙基-2,4,5-三甲基苯磺酸?
The molecular weight of 3-乙基-2,4,5-三甲基苯磺酸 is 228.08 g/mol.
Where can I buy 3-乙基-2,4,5-三甲基苯磺酸?
You can request a quote for 3-乙基-2,4,5-三甲基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙基-2,4,5-三甲基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 3-乙基-2,4,5-三甲基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.