F1063-0446
TL;DR: F1063-0446 (CAS 681814-08-4) is a chemical compound with molecular formula C22H19N3O7S2 and molecular weight 501.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[3-[4-(2-hydroxy-5-nitroanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: F1063-0446, METHYL 4-{[(5Z)-3-{3-[(2-HYDROXY-5-NITROPHENYL)CARBAMOYL]PROPYL}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOATE, (Z)-methyl 4-((3-(4-((2-hydroxy-5-nitrophenyl)amino)-4-oxobutyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoate, methyl 4-[(Z)-[3-[4-(2-hydroxy-5-nitroanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate, methyl 4-[(3-{3-[N-(2-hydroxy-5-nitrophenyl)carbamoyl]propyl}-4-oxo-2-thioxo-1 ,3-thiazolidin-5-ylidene)methyl]benzoate
| Molecular Formula | C22H19N3O7S2 |
|---|---|
| Molecular Weight | 501.07 g/mol |
| LogP | 3.7071 |
| Topological Polar Surface Area | 139.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.06644 |
| Heavy Atoms | 34 |
| Complexity | 1195.4844 |
Chemical Identifiers
| CAS Number | 681814-08-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O |
Product Overview
F1063-0446 (CAS 681814-08-4), with molecular formula C22H19N3O7S2 and molecular weight 501.07 g/mol. IUPAC: methyl 4-[(Z)-[3-[4-(2-hydroxy-5-nitroanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate.
Chemical Property Profile of F1063-0446
Property Insights of F1063-0446
The XLogP value of 3.7071 indicates that F1063-0446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.08 Ų falls within the moderate polarity range, balancing permeability and solubility for F1063-0446. Following Lipinski's Rule of Five, F1063-0446 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1063-0446?
The CAS number of F1063-0446 is 681814-08-4.
What is the molecular formula of F1063-0446?
The molecular formula of F1063-0446 is C22H19N3O7S2.
What is the molecular weight of F1063-0446?
The molecular weight of F1063-0446 is 501.07 g/mol.
Where can I buy F1063-0446?
You can request a quote for F1063-0446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1063-0446?
Yes, KEHONG BIO provides custom synthesis services for F1063-0446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.