Mdl 29311
TL;DR: Mdl 29311 (CAS 129896-06-6) is a chemical compound with molecular formula C29H44O2S2 and molecular weight 488.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol
Also Known As: Mdl 29311, Mdl 29,311, 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol, Methyl-bis-(4-hydroxy-3,5-di-t-butyl-phenylsulfide), 4,4 -(Methylenebisthio)bis(2,6-di-tert-butylphenol)
| Molecular Formula | C29H44O2S2 |
|---|---|
| Molecular Weight | 488.28 g/mol |
| LogP | 10.7 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.27826 |
| Heavy Atoms | 33 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 129896-06-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C |
| InChIKey | GAABJUNZYPATIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mdl 29311 (CAS 129896-06-6), with molecular formula C29H44O2S2 and molecular weight 488.28 g/mol. IUPAC: 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol.
Chemical Property Profile of Mdl 29311
Property Insights of Mdl 29311
The XLogP value of 10.7 indicates that Mdl 29311 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 29311. Following Lipinski's Rule of Five, Mdl 29311 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mdl 29311?
The CAS number of Mdl 29311 is 129896-06-6.
What is the molecular formula of Mdl 29311?
The molecular formula of Mdl 29311 is C29H44O2S2.
What is the molecular weight of Mdl 29311?
The molecular weight of Mdl 29311 is 488.28 g/mol.
Where can I buy Mdl 29311?
You can request a quote for Mdl 29311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 29311?
Yes, KEHONG BIO provides custom synthesis services for Mdl 29311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.