![5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid structure](/static/products/6255/62558-13-8.webp)
5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid
TL;DR: 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid (CAS 62558-13-8) is a chemical compound with molecular formula C28H38O6S and molecular weight 502.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid
Also Known As: 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid, 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-, 2,2'-Sulfanediylbis[5-tert-butyl-3-(2-hydroxypropan-2-yl)benzoic acid], 2-[2-Carboxy-6-(2-hydroxypropan-2-yl)-4-tert-butyl-phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)-5-tert-butyl-benzoic acid
| Molecular Formula | C28H38O6S |
|---|---|
| Molecular Weight | 502.24 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.23892 |
| Heavy Atoms | 35 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 62558-13-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)O)SC2=C(C=C(C=C2C(C)(C)O)C(C)(C)C)C(=O)O)C(=O)O |
| InChIKey | COJWMOUZPKSLAC-UHFFFAOYSA-N |
Product Overview
5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid (CAS 62558-13-8), with molecular formula C28H38O6S and molecular weight 502.24 g/mol. IUPAC: 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid.
Chemical Property Profile of 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid
Property Insights of 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid
The XLogP value of 5.8 indicates that 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid?
The CAS number of 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid is 62558-13-8.
What is the molecular formula of 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid?
The molecular formula of 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid is C28H38O6S.
What is the molecular weight of 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid?
The molecular weight of 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid is 502.24 g/mol.
Where can I buy 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid?
You can request a quote for 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.