C28H25N3O2S3
TL;DR: C28H25N3O2S3 (CAS 1008879-82-0) is a chemical compound with molecular formula C28H25N3O2S3 and molecular weight 531.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-({3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(furan-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one, (Z)-5-((3-(4-(butylthio)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(furan-2-ylmethyl)-2-thioxothiazolidin-4-one, (5Z)-5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, C28H25N3O2S3
| Molecular Formula | C28H25N3O2S3 |
|---|---|
| Molecular Weight | 531.11 g/mol |
| LogP | 7.4259 |
| Topological Polar Surface Area | 51.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 531.1109 |
| Heavy Atoms | 36 |
| Complexity | 1377.4379 |
Chemical Identifiers
| CAS Number | 1008879-82-0 |
|---|---|
| SMILES | CCCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4)C5=CC=CC=C5 |
Product Overview
C28H25N3O2S3 (CAS 1008879-82-0), with molecular formula C28H25N3O2S3 and molecular weight 531.11 g/mol. IUPAC: (5Z)-5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of C28H25N3O2S3
Property Insights of C28H25N3O2S3
The XLogP value of 7.4259 indicates that C28H25N3O2S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.27 Ų, C28H25N3O2S3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C28H25N3O2S3 has 0 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 C28H25N3O2S3?
The CAS number of C28H25N3O2S3 is 1008879-82-0.
What is the molecular formula of C28H25N3O2S3?
The molecular formula of C28H25N3O2S3 is C28H25N3O2S3.
What is the molecular weight of C28H25N3O2S3?
The molecular weight of C28H25N3O2S3 is 531.11 g/mol.
Where can I buy C28H25N3O2S3?
You can request a quote for C28H25N3O2S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H25N3O2S3?
Yes, KEHONG BIO provides custom synthesis services for C28H25N3O2S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.