VU0613129-1
TL;DR: VU0613129-1 (CAS 587014-02-6) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-cyano-2-[3-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylacetamide
Also Known As: VU0613129-1, (Z)-2-cyano-2-(5-(4-methoxybenzyl)-3-(3-methoxyphenyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide, F3375-2440, 2-CYANO-2-[(2Z)-3-(3-METHOXYPHENYL)-5-[(4-METHOXYPHENYL)METHYL]-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-N-METHYLACETAMIDE, (2Z)-2-cyano-2-[3-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylacetamide
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 2.87608 |
| Topological Polar Surface Area | 91.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1027.4233 |
Chemical Identifiers
| CAS Number | 587014-02-6 |
|---|---|
| SMILES | CNC(=O)/C(=C\1/N(C(=O)C(S1)CC2=CC=C(C=C2)OC)C3=CC(=CC=C3)OC)/C#N |
Product Overview
VU0613129-1 (CAS 587014-02-6), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: (2Z)-2-cyano-2-[3-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylacetamide.
Chemical Property Profile of VU0613129-1
Property Insights of VU0613129-1
The XLogP value of 2.87608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0613129-1. The TPSA of 91.66 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0613129-1. Following Lipinski's Rule of Five, VU0613129-1 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 VU0613129-1?
The CAS number of VU0613129-1 is 587014-02-6.
What is the molecular formula of VU0613129-1?
The molecular formula of VU0613129-1 is C22H21N3O4S.
What is the molecular weight of VU0613129-1?
The molecular weight of VU0613129-1 is 423.13 g/mol.
Where can I buy VU0613129-1?
You can request a quote for VU0613129-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0613129-1?
Yes, KEHONG BIO provides custom synthesis services for VU0613129-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.