BAS 00776687
TL;DR: BAS 00776687 (CAS 5550-38-9) is a chemical compound with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: BAS 00776687, BIM-0023674.P001, 3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-[5-(2-Methoxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid, F0207-0808
| Molecular Formula | C14H13NO4S2 |
|---|---|
| Molecular Weight | 323.03 g/mol |
| LogP | 2.3711 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0286 |
| Heavy Atoms | 21 |
| Complexity | 627.15497 |
Chemical Identifiers
| CAS Number | 5550-38-9 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)O |
Product Overview
BAS 00776687 (CAS 5550-38-9), with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol. IUPAC: 3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of BAS 00776687
Property Insights of BAS 00776687
The XLogP value of 2.3711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00776687. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00776687. Following Lipinski's Rule of Five, BAS 00776687 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 00776687?
The CAS number of BAS 00776687 is 5550-38-9.
What is the molecular formula of BAS 00776687?
The molecular formula of BAS 00776687 is C14H13NO4S2.
What is the molecular weight of BAS 00776687?
The molecular weight of BAS 00776687 is 323.03 g/mol.
Where can I buy BAS 00776687?
You can request a quote for BAS 00776687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00776687?
Yes, KEHONG BIO provides custom synthesis services for BAS 00776687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.