![3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone structure](/static/products/3811/381175-09-3.webp)
3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone
TL;DR: 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone (CAS 381175-09-3) is a chemical compound with molecular formula C27H21ClN2O2S3 and molecular weight 536.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-chlorophenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone, 3-[4-(2-chlorophenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C27H21ClN2O2S3 |
|---|---|
| Molecular Weight | 536.05 g/mol |
| LogP | 7.45932 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 536.04535 |
| Heavy Atoms | 35 |
| Complexity | 1371.0942 |
Chemical Identifiers
| CAS Number | 381175-09-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl |
Product Overview
3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone (CAS 381175-09-3), with molecular formula C27H21ClN2O2S3 and molecular weight 536.05 g/mol. IUPAC: 3-[4-(2-chlorophenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone
Property Insights of 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone
The XLogP value of 7.45932 indicates that 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone?
The CAS number of 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone is 381175-09-3.
What is the molecular formula of 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone?
The molecular formula of 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone is C27H21ClN2O2S3.
What is the molecular weight of 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone?
The molecular weight of 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone is 536.05 g/mol.
Where can I buy 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone?
You can request a quote for 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2-Chloro-10H-phenothiazin-10-yl)-4-oxobutyl]-5-[(4-methylphenyl)methylene]-2-thioxo-4-thiazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.