AB00689139-01
TL;DR: AB00689139-01 (CAS 881817-99-8) is a chemical compound with molecular formula C17H12N4OS2 and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-1,3-thiazole-2-thione
Also Known As: AB00689139-01, (Z)-5-((1H-benzo[d]imidazol-2-yl)methylene)-3-(phenylamino)-2-thioxothiazolidin-4-one, F3104-0183, (5Z)-5-[(1H-1,3-benzodiazol-2-yl)methylidene]-3-(phenylamino)-2-sulfanylidene-1,3-thiazolidin-4-one, 3-anilino-5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-1,3-thiazole-2-thione
| Molecular Formula | C17H12N4OS2 |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 3.11129 |
| Topological Polar Surface Area | 61.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.04526 |
| Heavy Atoms | 24 |
| Complexity | 1076.4825 |
Chemical Identifiers
| CAS Number | 881817-99-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NN2C(=C(SC2=S)C=C3N=C4C=CC=CC4=N3)O |
Product Overview
AB00689139-01 (CAS 881817-99-8), with molecular formula C17H12N4OS2 and molecular weight 352.05 g/mol. IUPAC: 3-anilino-5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-1,3-thiazole-2-thione.
Chemical Property Profile of AB00689139-01
Property Insights of AB00689139-01
The XLogP value of 3.11129 indicates that AB00689139-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00689139-01. Following Lipinski's Rule of Five, AB00689139-01 has 2 hydrogen bond donor(s) and 6 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 AB00689139-01?
The CAS number of AB00689139-01 is 881817-99-8.
What is the molecular formula of AB00689139-01?
The molecular formula of AB00689139-01 is C17H12N4OS2.
What is the molecular weight of AB00689139-01?
The molecular weight of AB00689139-01 is 352.05 g/mol.
Where can I buy AB00689139-01?
You can request a quote for AB00689139-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00689139-01?
Yes, KEHONG BIO provides custom synthesis services for AB00689139-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.