BIM-0042109.P001
TL;DR: BIM-0042109.P001 (CAS 292160-99-7) is a chemical compound with molecular formula C18H10ClN3O6S2 and molecular weight 462.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: BIM-0042109.P001, (Z)-2-chloro-N-(5-((6-nitrobenzo[d][1,3]dioxol-5-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide, (2-chlorophenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide, 2-chloro-N-[(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide, 2-chloro-N-{(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
| Molecular Formula | C18H10ClN3O6S2 |
|---|---|
| Molecular Weight | 462.97 g/mol |
| LogP | 3.5231 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.96994 |
| Heavy Atoms | 30 |
| Complexity | 1152.7368 |
Chemical Identifiers
| CAS Number | 292160-99-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C\3/C(=O)N(C(=S)S3)NC(=O)C4=CC=CC=C4Cl)[N+](=O)[O-] |
Product Overview
BIM-0042109.P001 (CAS 292160-99-7), with molecular formula C18H10ClN3O6S2 and molecular weight 462.97 g/mol. IUPAC: 2-chloro-N-[(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of BIM-0042109.P001
Property Insights of BIM-0042109.P001
The XLogP value of 3.5231 indicates that BIM-0042109.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0042109.P001. Following Lipinski's Rule of Five, BIM-0042109.P001 has 1 hydrogen bond donor(s) and 8 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-0042109.P001?
The CAS number of BIM-0042109.P001 is 292160-99-7.
What is the molecular formula of BIM-0042109.P001?
The molecular formula of BIM-0042109.P001 is C18H10ClN3O6S2.
What is the molecular weight of BIM-0042109.P001?
The molecular weight of BIM-0042109.P001 is 462.97 g/mol.
Where can I buy BIM-0042109.P001?
You can request a quote for BIM-0042109.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042109.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042109.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.