F1063-0552
TL;DR: F1063-0552 (CAS 681815-00-9) is a chemical compound with molecular formula C17H17NO5S2 and molecular weight 379.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: F1063-0552, (Z)-methyl 4-((3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoate, methyl 4-[(Z)-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate, METHYL 4-{[(5Z)-3-(4-METHOXY-4-OXOBUTYL)-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOATE, methyl 4-(5-{[4-(methoxycarbonyl)phenyl]methylene}-4-oxo-2-thioxo-1,3-thiazoli din-3-yl)butanoate
| Molecular Formula | C17H17NO5S2 |
|---|---|
| Molecular Weight | 379.05 g/mol |
| LogP | 2.6276 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.0548 |
| Heavy Atoms | 25 |
| Complexity | 727.05865 |
Chemical Identifiers
| CAS Number | 681815-00-9 |
|---|---|
| SMILES | COC(=O)CCCN1C(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC)/SC1=S |
Product Overview
F1063-0552 (CAS 681815-00-9), with molecular formula C17H17NO5S2 and molecular weight 379.05 g/mol. IUPAC: methyl 4-[(Z)-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate.
Chemical Property Profile of F1063-0552
Property Insights of F1063-0552
The XLogP value of 2.6276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1063-0552. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F1063-0552. Following Lipinski's Rule of Five, F1063-0552 has 0 hydrogen bond donor(s) and 7 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 F1063-0552?
The CAS number of F1063-0552 is 681815-00-9.
What is the molecular formula of F1063-0552?
The molecular formula of F1063-0552 is C17H17NO5S2.
What is the molecular weight of F1063-0552?
The molecular weight of F1063-0552 is 379.05 g/mol.
Where can I buy F1063-0552?
You can request a quote for F1063-0552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1063-0552?
Yes, KEHONG BIO provides custom synthesis services for F1063-0552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.