AB00686134-01
TL;DR: AB00686134-01 (CAS 622351-71-7) is a chemical compound with molecular formula C23H16N2O5S2 and molecular weight 464.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,5-dioxo-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidin-1-yl]benzoic acid
Also Known As: AB00686134-01, F1553-0133, 4-(2,5-dioxo-3-((Z)-4-oxo-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-3-yl)pyrrolidin-1-yl)benzoic acid, 4-{2,5-DIOXO-3-[(5Z)-4-OXO-5-[(2E)-3-PHENYLPROP-2-EN-1-YLIDENE]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PYRROLIDIN-1-YL}BENZOIC ACID, 4-[2,5-dioxo-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidin-1-yl]benzoic acid
| Molecular Formula | C23H16N2O5S2 |
|---|---|
| Molecular Weight | 464.05 g/mol |
| LogP | 3.4743 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.05005 |
| Heavy Atoms | 32 |
| Complexity | 1188.6273 |
Chemical Identifiers
| CAS Number | 622351-71-7 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)N3C(=O)/C(=C/C=C/C4=CC=CC=C4)/SC3=S |
Product Overview
AB00686134-01 (CAS 622351-71-7), with molecular formula C23H16N2O5S2 and molecular weight 464.05 g/mol. IUPAC: 4-[2,5-dioxo-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of AB00686134-01
Property Insights of AB00686134-01
The XLogP value of 3.4743 indicates that AB00686134-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686134-01. Following Lipinski's Rule of Five, AB00686134-01 has 1 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 AB00686134-01?
The CAS number of AB00686134-01 is 622351-71-7.
What is the molecular formula of AB00686134-01?
The molecular formula of AB00686134-01 is C23H16N2O5S2.
What is the molecular weight of AB00686134-01?
The molecular weight of AB00686134-01 is 464.05 g/mol.
Where can I buy AB00686134-01?
You can request a quote for AB00686134-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686134-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686134-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.