BAS 02067172
TL;DR: BAS 02067172 (CAS 338427-31-9) is a chemical compound with molecular formula C18H19BrN2O2S2 and molecular weight 438.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-bromophenyl)methylidene]-3-(4-oxo-4-pyrrolidin-1-ylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 02067172, (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-oxo-4-pyrrolidin-1-ylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-(3-bromobenzylidene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one, (5Z)-5-(3-bromobenzylidene)-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-thioxo-1,3-thiazolidin-4-one, 5-[(3-bromophenyl)methylene]-3-(4-oxo-4-pyrrolidinylbutyl)-2-thioxo-1,3-thiazo lidin-4-one
| Molecular Formula | C18H19BrN2O2S2 |
|---|---|
| Molecular Weight | 438.01 g/mol |
| LogP | 4.0529 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.00714 |
| Heavy Atoms | 25 |
| Complexity | 729.5412 |
Chemical Identifiers
| CAS Number | 338427-31-9 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CCCN2C(=O)/C(=C/C3=CC(=CC=C3)Br)/SC2=S |
Product Overview
BAS 02067172 (CAS 338427-31-9), with molecular formula C18H19BrN2O2S2 and molecular weight 438.01 g/mol. IUPAC: (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-oxo-4-pyrrolidin-1-ylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 02067172
Property Insights of BAS 02067172
The XLogP value of 4.0529 indicates that BAS 02067172 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, BAS 02067172 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02067172 has 0 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 BAS 02067172?
The CAS number of BAS 02067172 is 338427-31-9.
What is the molecular formula of BAS 02067172?
The molecular formula of BAS 02067172 is C18H19BrN2O2S2.
What is the molecular weight of BAS 02067172?
The molecular weight of BAS 02067172 is 438.01 g/mol.
Where can I buy BAS 02067172?
You can request a quote for BAS 02067172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02067172?
Yes, KEHONG BIO provides custom synthesis services for BAS 02067172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.