BIM-0037117.P001
TL;DR: BIM-0037117.P001 (CAS 259812-54-9) is a chemical compound with molecular formula C20H17Cl2NO4S2 and molecular weight 469.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: BIM-0037117.P001, (E)-6-(5-((5-(3,4-dichlorophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid, 6-[(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid, 6-[(5E)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
| Molecular Formula | C20H17Cl2NO4S2 |
|---|---|
| Molecular Weight | 469.00 g/mol |
| LogP | 6.0996 |
| Topological Polar Surface Area | 70.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.99762 |
| Heavy Atoms | 29 |
| Complexity | 986.61084 |
Chemical Identifiers
| CAS Number | 259812-54-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)CCCCCC(=O)O)Cl)Cl |
Product Overview
BIM-0037117.P001 (CAS 259812-54-9), with molecular formula C20H17Cl2NO4S2 and molecular weight 469.00 g/mol. IUPAC: 6-[(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid.
Chemical Property Profile of BIM-0037117.P001
Property Insights of BIM-0037117.P001
The XLogP value of 6.0996 indicates that BIM-0037117.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0037117.P001. Following Lipinski's Rule of Five, BIM-0037117.P001 has 1 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 BIM-0037117.P001?
The CAS number of BIM-0037117.P001 is 259812-54-9.
What is the molecular formula of BIM-0037117.P001?
The molecular formula of BIM-0037117.P001 is C20H17Cl2NO4S2.
What is the molecular weight of BIM-0037117.P001?
The molecular weight of BIM-0037117.P001 is 469.00 g/mol.
Where can I buy BIM-0037117.P001?
You can request a quote for BIM-0037117.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0037117.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0037117.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.