BIM-0029021.P001
TL;DR: BIM-0029021.P001 (CAS 331988-35-3) is a chemical compound with molecular formula C18H12ClNO3S3 and molecular weight 420.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BIM-0029021.P001, A1841/0077464, [(5E)-5-{2-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, (E)-2-(5-(2-((4-chlorophenyl)thio)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, (5-{2-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)acetic acid
| Molecular Formula | C18H12ClNO3S3 |
|---|---|
| Molecular Weight | 420.97 g/mol |
| LogP | 4.777 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.9668 |
| Heavy Atoms | 26 |
| Complexity | 912.1523 |
Chemical Identifiers
| CAS Number | 331988-35-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)SC3=CC=C(C=C3)Cl |
Product Overview
BIM-0029021.P001 (CAS 331988-35-3), with molecular formula C18H12ClNO3S3 and molecular weight 420.97 g/mol. IUPAC: 2-[(5E)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of BIM-0029021.P001
Property Insights of BIM-0029021.P001
The XLogP value of 4.777 indicates that BIM-0029021.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, BIM-0029021.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0029021.P001 has 1 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 BIM-0029021.P001?
The CAS number of BIM-0029021.P001 is 331988-35-3.
What is the molecular formula of BIM-0029021.P001?
The molecular formula of BIM-0029021.P001 is C18H12ClNO3S3.
What is the molecular weight of BIM-0029021.P001?
The molecular weight of BIM-0029021.P001 is 420.97 g/mol.
Where can I buy BIM-0029021.P001?
You can request a quote for BIM-0029021.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0029021.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0029021.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.