3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol)
TL;DR: 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol) (CAS 6524-40-9) is a chemical compound with molecular formula C25H21BrN4O2S2 and molecular weight 552.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-bromophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol), N-[(2-bromophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-[(2-Bromophenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanehydrazonic acid, N-[(2-Bromophenyl)methylidene][(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanehydrazonic acid
| Molecular Formula | C25H21BrN4O2S2 |
|---|---|
| Molecular Weight | 552.03 g/mol |
| LogP | 5.3309 |
| Topological Polar Surface Area | 76.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 552.02893 |
| Heavy Atoms | 34 |
| Complexity | 1446.8256 |
Chemical Identifiers
| CAS Number | 6524-40-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NN=CC5=CC=CC=C5Br |
Product Overview
3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol) (CAS 6524-40-9), with molecular formula C25H21BrN4O2S2 and molecular weight 552.03 g/mol. IUPAC: N-[(2-bromophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol)
Property Insights of 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol)
The XLogP value of 5.3309 indicates that 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol). Following Lipinski's Rule of Five, 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol) has 1 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 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol)?
The CAS number of 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol) is 6524-40-9.
What is the molecular formula of 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol)?
The molecular formula of 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol) is C25H21BrN4O2S2.
What is the molecular weight of 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol)?
The molecular weight of 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol) is 552.03 g/mol.
Where can I buy 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol)?
You can request a quote for 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.