RefChem:415929
TL;DR: RefChem:415929 (CAS 32657-12-8) is a chemical compound with molecular formula C34H42O4S2 and molecular weight 578.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-S,4-S-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl] benzene-1,4-dicarbothioate
Also Known As: 1,4-Benzenedicarbothioic acid, S,S-bis((4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl)methyl) ester, 1,4-Benzenedicarbothioic acid, S1,S4-bis((4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl)methyl) ester, s,s-bis[[4-3-hydroxy-2,6-dimethylphenyl]methyl]terephthalate, 1-S,4-S-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl] benzene-1,4-dicarbothioate, S,S-Bis((4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl)methyl) terephthalate
| Molecular Formula | C34H42O4S2 |
|---|---|
| Molecular Weight | 578.25 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 578.25244 |
| Heavy Atoms | 40 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 32657-12-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CSC(=O)C2=CC=C(C=C2)C(=O)SCC3=C(C(=C(C=C3C)C(C)(C)C)O)C)C)O)C(C)(C)C |
| InChIKey | IBNAEPDYNMYGQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:415929 (CAS 32657-12-8), with molecular formula C34H42O4S2 and molecular weight 578.25 g/mol. IUPAC: 1-S,4-S-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl] benzene-1,4-dicarbothioate.
Chemical Property Profile of RefChem:415929
Property Insights of RefChem:415929
The XLogP value of 9.8 indicates that RefChem:415929 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:415929. Following Lipinski's Rule of Five, RefChem:415929 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:415929?
The CAS number of RefChem:415929 is 32657-12-8.
What is the molecular formula of RefChem:415929?
The molecular formula of RefChem:415929 is C34H42O4S2.
What is the molecular weight of RefChem:415929?
The molecular weight of RefChem:415929 is 578.25 g/mol.
Where can I buy RefChem:415929?
You can request a quote for RefChem:415929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:415929?
Yes, KEHONG BIO provides custom synthesis services for RefChem:415929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.