AB00116899-01
TL;DR: AB00116899-01 (CAS 431926-17-9) is a chemical compound with molecular formula C18H11NO5S and molecular weight 353.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: AB00116899-01, 4-(5-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid, 4-[5-[(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic Acid, (E)-4-(5-((2,4-dioxo-3-(prop-2-yn-1-yl)thiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid, 4-[5-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
| Molecular Formula | C18H11NO5S |
|---|---|
| Molecular Weight | 353.04 g/mol |
| LogP | 3.3143 |
| Topological Polar Surface Area | 87.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.0358 |
| Heavy Atoms | 25 |
| Complexity | 933.1212 |
Chemical Identifiers
| CAS Number | 431926-17-9 |
|---|---|
| SMILES | C#CCN1C(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)/SC1=O |
Product Overview
AB00116899-01 (CAS 431926-17-9), with molecular formula C18H11NO5S and molecular weight 353.04 g/mol. IUPAC: 4-[5-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of AB00116899-01
Property Insights of AB00116899-01
The XLogP value of 3.3143 indicates that AB00116899-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116899-01. Following Lipinski's Rule of Five, AB00116899-01 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 AB00116899-01?
The CAS number of AB00116899-01 is 431926-17-9.
What is the molecular formula of AB00116899-01?
The molecular formula of AB00116899-01 is C18H11NO5S.
What is the molecular weight of AB00116899-01?
The molecular weight of AB00116899-01 is 353.04 g/mol.
Where can I buy AB00116899-01?
You can request a quote for AB00116899-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116899-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116899-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.