AB00675678-01
TL;DR: AB00675678-01 (CAS 896086-74-1) is a chemical compound with molecular formula C17H12N2O5S2 and molecular weight 388.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
Also Known As: AB00675678-01, F1691-3369, 4-{2-[(5Z)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamido}benzoic acid, (Z)-4-(2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)acetamido)benzoic acid, 4-[[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
| Molecular Formula | C17H12N2O5S2 |
|---|---|
| Molecular Weight | 388.02 g/mol |
| LogP | 2.8177 |
| Topological Polar Surface Area | 99.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.01877 |
| Heavy Atoms | 26 |
| Complexity | 903.74426 |
Chemical Identifiers
| CAS Number | 896086-74-1 |
|---|---|
| SMILES | C1=COC(=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
AB00675678-01 (CAS 896086-74-1), with molecular formula C17H12N2O5S2 and molecular weight 388.02 g/mol. IUPAC: 4-[[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid.
Chemical Property Profile of AB00675678-01
Property Insights of AB00675678-01
The XLogP value of 2.8177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00675678-01. The TPSA of 99.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00675678-01. Following Lipinski's Rule of Five, AB00675678-01 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 AB00675678-01?
The CAS number of AB00675678-01 is 896086-74-1.
What is the molecular formula of AB00675678-01?
The molecular formula of AB00675678-01 is C17H12N2O5S2.
What is the molecular weight of AB00675678-01?
The molecular weight of AB00675678-01 is 388.02 g/mol.
Where can I buy AB00675678-01?
You can request a quote for AB00675678-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675678-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675678-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.