AB00689140-01
TL;DR: AB00689140-01 (CAS 881818-68-4) is a chemical compound with molecular formula C18H11FN4O2S2 and molecular weight 398.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-4-fluorobenzamide
Also Known As: AB00689140-01, N-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-fluorobenzamide, (Z)-N-(5-((1H-benzo[d]imidazol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-4-fluorobenzamide, N-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-fluorobenzamide, N-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-fluorobenzamide
| Molecular Formula | C18H11FN4O2S2 |
|---|---|
| Molecular Weight | 398.03 g/mol |
| LogP | 2.75909 |
| Topological Polar Surface Area | 78.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.03073 |
| Heavy Atoms | 27 |
| Complexity | 1222.7491 |
Chemical Identifiers
| CAS Number | 881818-68-4 |
|---|---|
| SMILES | C1=CC2=NC(=CC3=C(N(C(=S)S3)NC(=O)C4=CC=C(C=C4)F)O)N=C2C=C1 |
Product Overview
AB00689140-01 (CAS 881818-68-4), with molecular formula C18H11FN4O2S2 and molecular weight 398.03 g/mol. IUPAC: N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-4-fluorobenzamide.
Chemical Property Profile of AB00689140-01
Property Insights of AB00689140-01
The XLogP value of 2.75909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00689140-01. The TPSA of 78.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00689140-01. Following Lipinski's Rule of Five, AB00689140-01 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 AB00689140-01?
The CAS number of AB00689140-01 is 881818-68-4.
What is the molecular formula of AB00689140-01?
The molecular formula of AB00689140-01 is C18H11FN4O2S2.
What is the molecular weight of AB00689140-01?
The molecular weight of AB00689140-01 is 398.03 g/mol.
Where can I buy AB00689140-01?
You can request a quote for AB00689140-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00689140-01?
Yes, KEHONG BIO provides custom synthesis services for AB00689140-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.