ChemDiv1_004451
TL;DR: ChemDiv1_004451 (CAS 354557-91-8) is a chemical compound with molecular formula C20H16ClNO6S and molecular weight 433.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid
Also Known As: ChemDiv1_004451, AB00113779-01, AM-879/12160034, (4-{(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetic acid, (4-{[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
| Molecular Formula | C20H16ClNO6S |
|---|---|
| Molecular Weight | 433.04 g/mol |
| LogP | 4.443 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.0387 |
| Heavy Atoms | 29 |
| Complexity | 988.966 |
Chemical Identifiers
| CAS Number | 354557-91-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)C3=CC=C(C=C3)Cl)OCC(=O)O |
Product Overview
ChemDiv1_004451 (CAS 354557-91-8), with molecular formula C20H16ClNO6S and molecular weight 433.04 g/mol. IUPAC: 2-[4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid.
Chemical Property Profile of ChemDiv1_004451
Property Insights of ChemDiv1_004451
The XLogP value of 4.443 indicates that ChemDiv1_004451 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004451. Following Lipinski's Rule of Five, ChemDiv1_004451 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 ChemDiv1_004451?
The CAS number of ChemDiv1_004451 is 354557-91-8.
What is the molecular formula of ChemDiv1_004451?
The molecular formula of ChemDiv1_004451 is C20H16ClNO6S.
What is the molecular weight of ChemDiv1_004451?
The molecular weight of ChemDiv1_004451 is 433.04 g/mol.
Where can I buy ChemDiv1_004451?
You can request a quote for ChemDiv1_004451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004451?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.