ChemDiv3_002095
TL;DR: ChemDiv3_002095 (CAS 307540-92-7) is a chemical compound with molecular formula C20H17BrN2O2S2 and molecular weight 459.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-phenylethyl)acetamide
Also Known As: ChemDiv3_002095, IDI1_021061, 2-[(5Z)-5-[(3-BROMOPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]-N-(2-PHENYLETHYL)ACETAMIDE, F0822-0197, (Z)-2-(5-(3-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-phenethylacetamide
| Molecular Formula | C20H17BrN2O2S2 |
|---|---|
| Molecular Weight | 459.99 g/mol |
| LogP | 4.0092 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.9915 |
| Heavy Atoms | 27 |
| Complexity | 899.86456 |
Chemical Identifiers
| CAS Number | 307540-92-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)CN2C(=O)/C(=C/C3=CC(=CC=C3)Br)/SC2=S |
Product Overview
ChemDiv3_002095 (CAS 307540-92-7), with molecular formula C20H17BrN2O2S2 and molecular weight 459.99 g/mol. IUPAC: 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of ChemDiv3_002095
Property Insights of ChemDiv3_002095
The XLogP value of 4.0092 indicates that ChemDiv3_002095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, ChemDiv3_002095 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002095 has 1 hydrogen bond donor(s) and 4 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_002095?
The CAS number of ChemDiv3_002095 is 307540-92-7.
What is the molecular formula of ChemDiv3_002095?
The molecular formula of ChemDiv3_002095 is C20H17BrN2O2S2.
What is the molecular weight of ChemDiv3_002095?
The molecular weight of ChemDiv3_002095 is 459.99 g/mol.
Where can I buy ChemDiv3_002095?
You can request a quote for ChemDiv3_002095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002095?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.