F1063-0616
TL;DR: F1063-0616 (CAS 681815-31-6) is a chemical compound with molecular formula C19H21N3O5S2 and molecular weight 435.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-morpholin-4-ylbutanamide
Also Known As: F1063-0616, 4-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(morpholin-4-yl)butanamide, (Z)-4-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)-N-morpholinobutanamide, 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-morpholin-4-ylbutanamide, 4-[5-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-4-oxo-2-thioxo(1,3-thiazolidi n-3-yl)]-N-morpholin-4-ylbutanamide
| Molecular Formula | C19H21N3O5S2 |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 1.7601 |
| Topological Polar Surface Area | 80.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.09225 |
| Heavy Atoms | 29 |
| Complexity | 854.2464 |
Chemical Identifiers
| CAS Number | 681815-31-6 |
|---|---|
| SMILES | C1COCCN1NC(=O)CCCN2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S |
Product Overview
F1063-0616 (CAS 681815-31-6), with molecular formula C19H21N3O5S2 and molecular weight 435.09 g/mol. IUPAC: 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-morpholin-4-ylbutanamide.
Chemical Property Profile of F1063-0616
Property Insights of F1063-0616
The XLogP value of 1.7601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1063-0616. The TPSA of 80.34 Ų falls within the moderate polarity range, balancing permeability and solubility for F1063-0616. Following Lipinski's Rule of Five, F1063-0616 has 1 hydrogen bond donor(s) and 8 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 F1063-0616?
The CAS number of F1063-0616 is 681815-31-6.
What is the molecular formula of F1063-0616?
The molecular formula of F1063-0616 is C19H21N3O5S2.
What is the molecular weight of F1063-0616?
The molecular weight of F1063-0616 is 435.09 g/mol.
Where can I buy F1063-0616?
You can request a quote for F1063-0616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1063-0616?
Yes, KEHONG BIO provides custom synthesis services for F1063-0616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.