VU0613128-1
TL;DR: VU0613128-1 (CAS 585556-54-3) is a chemical compound with molecular formula C20H15Cl2N3O3S and molecular weight 447.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
Also Known As: VU0613128-1, (Z)-2-cyano-2-(5-(2,5-dichlorobenzyl)-3-(3-methoxyphenyl)-4-oxothiazolidin-2-ylidene)acetamide, F3375-2439, 2-CYANO-2-[(2Z)-5-[(2,5-DICHLOROPHENYL)METHYL]-3-(3-METHOXYPHENYL)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]ACETAMIDE, (2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
| Molecular Formula | C20H15Cl2N3O3S |
|---|---|
| Molecular Weight | 447.02 g/mol |
| LogP | 3.91358 |
| Topological Polar Surface Area | 96.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.02112 |
| Heavy Atoms | 29 |
| Complexity | 1065.1772 |
Chemical Identifiers
| CAS Number | 585556-54-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N\2C(=O)C(S/C2=C(/C#N)\C(=O)N)CC3=C(C=CC(=C3)Cl)Cl |
Product Overview
VU0613128-1 (CAS 585556-54-3), with molecular formula C20H15Cl2N3O3S and molecular weight 447.02 g/mol. IUPAC: (2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
Chemical Property Profile of VU0613128-1
Property Insights of VU0613128-1
The XLogP value of 3.91358 indicates that VU0613128-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.42 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0613128-1. Following Lipinski's Rule of Five, VU0613128-1 has 1 hydrogen bond donor(s) and 5 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 VU0613128-1?
The CAS number of VU0613128-1 is 585556-54-3.
What is the molecular formula of VU0613128-1?
The molecular formula of VU0613128-1 is C20H15Cl2N3O3S.
What is the molecular weight of VU0613128-1?
The molecular weight of VU0613128-1 is 447.02 g/mol.
Where can I buy VU0613128-1?
You can request a quote for VU0613128-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0613128-1?
Yes, KEHONG BIO provides custom synthesis services for VU0613128-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.