AB00095998-01
TL;DR: AB00095998-01 (CAS 307342-79-6) is a chemical compound with molecular formula C18H15NO2S2 and molecular weight 341.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(3,4-dimethylphenyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00095998-01, AF-399/12152003, (5Z)-3-(3,4-dimethylphenyl)-5-(3-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(3,4-dimethylphenyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-(3,4-dimethylphenyl)-5-(3-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C18H15NO2S2 |
|---|---|
| Molecular Weight | 341.05 g/mol |
| LogP | 4.41484 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.0544 |
| Heavy Atoms | 23 |
| Complexity | 842.6653 |
Chemical Identifiers
| CAS Number | 307342-79-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC(=CC=C3)O)/SC2=S)C |
Product Overview
AB00095998-01 (CAS 307342-79-6), with molecular formula C18H15NO2S2 and molecular weight 341.05 g/mol. IUPAC: (5Z)-3-(3,4-dimethylphenyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00095998-01
Property Insights of AB00095998-01
The XLogP value of 4.41484 indicates that AB00095998-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, AB00095998-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00095998-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00095998-01?
The CAS number of AB00095998-01 is 307342-79-6.
What is the molecular formula of AB00095998-01?
The molecular formula of AB00095998-01 is C18H15NO2S2.
What is the molecular weight of AB00095998-01?
The molecular weight of AB00095998-01 is 341.05 g/mol.
Where can I buy AB00095998-01?
You can request a quote for AB00095998-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00095998-01?
Yes, KEHONG BIO provides custom synthesis services for AB00095998-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.