A2680/0114216
TL;DR: A2680/0114216 (CAS 442630-58-2) is a chemical compound with molecular formula C17H11N5O5S and molecular weight 397.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(E)-[3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: A2680/0114216, (E)-3-(5-((3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-4-oxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid, 3-(5-{(E)-[3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid, 3-(5-{[(5E)-3-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}FURAN-2-YL)BENZOIC ACID, 3-[5-[(E)-[3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
| Molecular Formula | C17H11N5O5S |
|---|---|
| Molecular Weight | 397.05 g/mol |
| LogP | 2.66567 |
| Topological Polar Surface Area | 159.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.0481 |
| Heavy Atoms | 28 |
| Complexity | 1148.277 |
Chemical Identifiers
| CAS Number | 442630-58-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)N(C(=N)S3)C4=NON=C4N |
Product Overview
A2680/0114216 (CAS 442630-58-2), with molecular formula C17H11N5O5S and molecular weight 397.05 g/mol. IUPAC: 3-[5-[(E)-[3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of A2680/0114216
Property Insights of A2680/0114216
The XLogP value of 2.66567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2680/0114216. The TPSA of 159.54 Ų indicates high polarity, suggesting A2680/0114216 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A2680/0114216 has 3 hydrogen bond donor(s) and 9 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 A2680/0114216?
The CAS number of A2680/0114216 is 442630-58-2.
What is the molecular formula of A2680/0114216?
The molecular formula of A2680/0114216 is C17H11N5O5S.
What is the molecular weight of A2680/0114216?
The molecular weight of A2680/0114216 is 397.05 g/mol.
Where can I buy A2680/0114216?
You can request a quote for A2680/0114216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2680/0114216?
Yes, KEHONG BIO provides custom synthesis services for A2680/0114216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.