RefChem:1075590
TL;DR: RefChem:1075590 (CAS 139207-46-8) is a chemical compound with molecular formula C29H28N4O3S2 and molecular weight 544.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[3-[(2-methylanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
Also Known As: Acetic acid, (4-((3-(((methylphenyl)amino)methyl)-4-oxo-2-thioxo-5-thiazolidinylidene)methyl)phenoxy)-, (1-(4-methylphenyl)ethylidene)hydrazide, RefChem:1075590
| Molecular Formula | C29H28N4O3S2 |
|---|---|
| Molecular Weight | 544.16 g/mol |
| LogP | 5.49344 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 544.1603 |
| Heavy Atoms | 38 |
| Complexity | 1400.0804 |
Chemical Identifiers
| CAS Number | 139207-46-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=N/NC(=O)COC2=CC=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CNC4=CC=CC=C4C)/C |
Product Overview
RefChem:1075590 (CAS 139207-46-8), with molecular formula C29H28N4O3S2 and molecular weight 544.16 g/mol. IUPAC: 2-[4-[(E)-[3-[(2-methylanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide.
Chemical Property Profile of RefChem:1075590
Property Insights of RefChem:1075590
The XLogP value of 5.49344 indicates that RefChem:1075590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075590. Following Lipinski's Rule of Five, RefChem:1075590 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1075590?
The CAS number of RefChem:1075590 is 139207-46-8.
What is the molecular formula of RefChem:1075590?
The molecular formula of RefChem:1075590 is C29H28N4O3S2.
What is the molecular weight of RefChem:1075590?
The molecular weight of RefChem:1075590 is 544.16 g/mol.
Where can I buy RefChem:1075590?
You can request a quote for RefChem:1075590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075590?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.