F1063-0462
TL;DR: F1063-0462 (CAS 681814-22-2) is a chemical compound with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[4-oxo-3-(4-oxo-4-piperidin-1-ylbutyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: F1063-0462, METHYL 4-{[(5Z)-4-OXO-3-[4-OXO-4-(PIPERIDIN-1-YL)BUTYL]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOATE, (Z)-methyl 4-((4-oxo-3-(4-oxo-4-(piperidin-1-yl)butyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoate, methyl 4-[(Z)-[4-oxo-3-(4-oxo-4-piperidin-1-ylbutyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate, methyl 4-{[4-oxo-3-(4-oxo-4-piperidylbutyl)-2-thioxo-1,3-thiazolidin-5-ylidene ]methyl}benzoate
| Molecular Formula | C21H24N2O4S2 |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 3.4671 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.11774 |
| Heavy Atoms | 29 |
| Complexity | 829.58777 |
Chemical Identifiers
| CAS Number | 681814-22-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)N3CCCCC3 |
Product Overview
F1063-0462 (CAS 681814-22-2), with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol. IUPAC: methyl 4-[(Z)-[4-oxo-3-(4-oxo-4-piperidin-1-ylbutyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate.
Chemical Property Profile of F1063-0462
Property Insights of F1063-0462
The XLogP value of 3.4671 indicates that F1063-0462 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F1063-0462. Following Lipinski's Rule of Five, F1063-0462 has 0 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 F1063-0462?
The CAS number of F1063-0462 is 681814-22-2.
What is the molecular formula of F1063-0462?
The molecular formula of F1063-0462 is C21H24N2O4S2.
What is the molecular weight of F1063-0462?
The molecular weight of F1063-0462 is 432.12 g/mol.
Where can I buy F1063-0462?
You can request a quote for F1063-0462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1063-0462?
Yes, KEHONG BIO provides custom synthesis services for F1063-0462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.