BAS 00871918
TL;DR: BAS 00871918 (CAS 385397-94-4) is a chemical compound with molecular formula C11H9NO4S2 and molecular weight 283.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: BAS 00871918, 2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid, 2-(5-Furan-2-ylmethylene-4-oxo-2-thioxo-thiazolidin-3-yl)-propionic acid, 2-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 2-[5-(2-furylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C11H9NO4S2 |
|---|---|
| Molecular Weight | 283.00 g/mol |
| LogP | 1.9539 |
| Topological Polar Surface Area | 70.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.9973 |
| Heavy Atoms | 18 |
| Complexity | 535.2479 |
Chemical Identifiers
| CAS Number | 385397-94-4 |
|---|---|
| SMILES | CC(C(=O)O)N1C(=O)/C(=C/C2=CC=CO2)/SC1=S |
Product Overview
BAS 00871918 (CAS 385397-94-4), with molecular formula C11H9NO4S2 and molecular weight 283.00 g/mol. IUPAC: 2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of BAS 00871918
Property Insights of BAS 00871918
The XLogP value of 1.9539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00871918. The TPSA of 70.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00871918. Following Lipinski's Rule of Five, BAS 00871918 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 BAS 00871918?
The CAS number of BAS 00871918 is 385397-94-4.
What is the molecular formula of BAS 00871918?
The molecular formula of BAS 00871918 is C11H9NO4S2.
What is the molecular weight of BAS 00871918?
The molecular weight of BAS 00871918 is 283.00 g/mol.
Where can I buy BAS 00871918?
You can request a quote for BAS 00871918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00871918?
Yes, KEHONG BIO provides custom synthesis services for BAS 00871918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.