AB00115073-01
TL;DR: AB00115073-01 (CAS 380560-92-9) is a chemical compound with molecular formula C21H15FN2O4S2 and molecular weight 442.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: AB00115073-01, 3-[(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, (Z)-3-(5-(1-(4-fluorobenzyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-{(5Z)-5-[1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
| Molecular Formula | C21H15FN2O4S2 |
|---|---|
| Molecular Weight | 442.05 g/mol |
| LogP | 3.4186 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.04572 |
| Heavy Atoms | 30 |
| Complexity | 1114.2444 |
Chemical Identifiers
| CAS Number | 380560-92-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C/3\C(=O)N(C(=S)S3)CCC(=O)O)/C(=O)N2CC4=CC=C(C=C4)F |
Product Overview
AB00115073-01 (CAS 380560-92-9), with molecular formula C21H15FN2O4S2 and molecular weight 442.05 g/mol. IUPAC: 3-[(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of AB00115073-01
Property Insights of AB00115073-01
The XLogP value of 3.4186 indicates that AB00115073-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115073-01. Following Lipinski's Rule of Five, AB00115073-01 has 1 hydrogen bond donor(s) and 5 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 AB00115073-01?
The CAS number of AB00115073-01 is 380560-92-9.
What is the molecular formula of AB00115073-01?
The molecular formula of AB00115073-01 is C21H15FN2O4S2.
What is the molecular weight of AB00115073-01?
The molecular weight of AB00115073-01 is 442.05 g/mol.
Where can I buy AB00115073-01?
You can request a quote for AB00115073-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115073-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115073-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.