ChemDiv3_004672
TL;DR: ChemDiv3_004672 (CAS 501107-94-4) is a chemical compound with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
Also Known As: ChemDiv3_004672, IDI1_022582, (E)-2-(3-allyl-2-((4-hydroxyphenyl)imino)-4-oxothiazolidin-5-yl)-N-phenylacetamide, BRD-A51898010-001-01-8, 2-[(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
| Molecular Formula | C20H19N3O3S |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 3.5385 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.11472 |
| Heavy Atoms | 27 |
| Complexity | 865.8005 |
Chemical Identifiers
| CAS Number | 501107-94-4 |
|---|---|
| SMILES | C=CCN1C(=O)C(SC1=NC2=CC=C(C=C2)O)CC(=O)NC3=CC=CC=C3 |
Product Overview
ChemDiv3_004672 (CAS 501107-94-4), with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol. IUPAC: 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide.
Chemical Property Profile of ChemDiv3_004672
Property Insights of ChemDiv3_004672
The XLogP value of 3.5385 indicates that ChemDiv3_004672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004672. Following Lipinski's Rule of Five, ChemDiv3_004672 has 2 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 ChemDiv3_004672?
The CAS number of ChemDiv3_004672 is 501107-94-4.
What is the molecular formula of ChemDiv3_004672?
The molecular formula of ChemDiv3_004672 is C20H19N3O3S.
What is the molecular weight of ChemDiv3_004672?
The molecular weight of ChemDiv3_004672 is 381.11 g/mol.
Where can I buy ChemDiv3_004672?
You can request a quote for ChemDiv3_004672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004672?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.