BIM-0036814.P001
TL;DR: BIM-0036814.P001 (CAS 1146616-09-2) is a chemical compound with molecular formula C14H15NO6S3 and molecular weight 389.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: BIM-0036814.P001, AB00099715-01, 2-{5-[(3-Ethoxy-4-hydroxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesulfonic acid, (Z)-2-(5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid, 2-[(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid
| Molecular Formula | C14H15NO6S3 |
|---|---|
| Molecular Weight | 389.01 g/mol |
| LogP | 1.8799 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.00616 |
| Heavy Atoms | 24 |
| Complexity | 802.72784 |
Chemical Identifiers
| CAS Number | 1146616-09-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCS(=O)(=O)O)O |
Product Overview
BIM-0036814.P001 (CAS 1146616-09-2), with molecular formula C14H15NO6S3 and molecular weight 389.01 g/mol. IUPAC: 2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of BIM-0036814.P001
Property Insights of BIM-0036814.P001
The XLogP value of 1.8799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0036814.P001. The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0036814.P001. Following Lipinski's Rule of Five, BIM-0036814.P001 has 2 hydrogen bond donor(s) and 7 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-0036814.P001?
The CAS number of BIM-0036814.P001 is 1146616-09-2.
What is the molecular formula of BIM-0036814.P001?
The molecular formula of BIM-0036814.P001 is C14H15NO6S3.
What is the molecular weight of BIM-0036814.P001?
The molecular weight of BIM-0036814.P001 is 389.01 g/mol.
Where can I buy BIM-0036814.P001?
You can request a quote for BIM-0036814.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0036814.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0036814.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.