F1691-2721
TL;DR: F1691-2721 (CAS 868142-11-4) is a chemical compound with molecular formula C18H18N2O4S2 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid
Also Known As: F1691-2721, 4-methyl-2-{5-[(3Z)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}pentanoic acid, (Z)-4-methyl-2-(5-(1-methyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid, 4-methyl-2-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid, 4-methyl-2-[(5Z)-5-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanoic acid
| Molecular Formula | C18H18N2O4S2 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 2.7337 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.0708 |
| Heavy Atoms | 26 |
| Complexity | 862.502 |
Chemical Identifiers
| CAS Number | 868142-11-4 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)N1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)C)/SC1=S |
Product Overview
F1691-2721 (CAS 868142-11-4), with molecular formula C18H18N2O4S2 and molecular weight 390.07 g/mol. IUPAC: 4-methyl-2-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid.
Chemical Property Profile of F1691-2721
Property Insights of F1691-2721
The XLogP value of 2.7337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1691-2721. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F1691-2721. Following Lipinski's Rule of Five, F1691-2721 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 F1691-2721?
The CAS number of F1691-2721 is 868142-11-4.
What is the molecular formula of F1691-2721?
The molecular formula of F1691-2721 is C18H18N2O4S2.
What is the molecular weight of F1691-2721?
The molecular weight of F1691-2721 is 390.07 g/mol.
Where can I buy F1691-2721?
You can request a quote for F1691-2721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1691-2721?
Yes, KEHONG BIO provides custom synthesis services for F1691-2721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.