VU0608404-1
TL;DR: VU0608404-1 (CAS 797020-34-9) is a chemical compound with molecular formula C22H19N3O4S and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]methyl]benzoate
Also Known As: VU0608404-1, (Z)-ethyl 4-((2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-yl)methyl)benzoate, F3273-0770, ETHYL 4-{[(2Z)-2-[CARBAMOYL(CYANO)METHYLIDENE]-4-OXO-3-PHENYL-1,3-THIAZOLIDIN-5-YL]METHYL}BENZOATE, ethyl 4-[[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]methyl]benzoate
| Molecular Formula | C22H19N3O4S |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 2.77488 |
| Topological Polar Surface Area | 113.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.10962 |
| Heavy Atoms | 30 |
| Complexity | 1042.3024 |
Chemical Identifiers
| CAS Number | 797020-34-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CC2C(=O)N(/C(=C(\C#N)/C(=O)N)/S2)C3=CC=CC=C3 |
Product Overview
VU0608404-1 (CAS 797020-34-9), with molecular formula C22H19N3O4S and molecular weight 421.11 g/mol. IUPAC: ethyl 4-[[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]methyl]benzoate.
Chemical Property Profile of VU0608404-1
Property Insights of VU0608404-1
The XLogP value of 2.77488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0608404-1. The TPSA of 113.49 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0608404-1. Following Lipinski's Rule of Five, VU0608404-1 has 1 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 VU0608404-1?
The CAS number of VU0608404-1 is 797020-34-9.
What is the molecular formula of VU0608404-1?
The molecular formula of VU0608404-1 is C22H19N3O4S.
What is the molecular weight of VU0608404-1?
The molecular weight of VU0608404-1 is 421.11 g/mol.
Where can I buy VU0608404-1?
You can request a quote for VU0608404-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0608404-1?
Yes, KEHONG BIO provides custom synthesis services for VU0608404-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.