AB00117024-01
TL;DR: AB00117024-01 (CAS 431933-41-4) is a chemical compound with molecular formula C18H10ClNO5S and molecular weight 387.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-[5-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: AB00117024-01, 2-chloro-4-(5-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid, (E)-2-chloro-4-(5-((2,4-dioxo-3-(prop-2-yn-1-yl)thiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid, 2-chloro-4-[5-[(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic Acid, 2-chloro-4-[5-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
| Molecular Formula | C18H10ClNO5S |
|---|---|
| Molecular Weight | 387.00 g/mol |
| LogP | 3.9677 |
| Topological Polar Surface Area | 87.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.99683 |
| Heavy Atoms | 26 |
| Complexity | 1001.2507 |
Chemical Identifiers
| CAS Number | 431933-41-4 |
|---|---|
| SMILES | C#CCN1C(=O)/C(=C\C2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)/SC1=O |
Product Overview
AB00117024-01 (CAS 431933-41-4), with molecular formula C18H10ClNO5S and molecular weight 387.00 g/mol. IUPAC: 2-chloro-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 AB00117024-01
Property Insights of AB00117024-01
The XLogP value of 3.9677 indicates that AB00117024-01 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 AB00117024-01. Following Lipinski's Rule of Five, AB00117024-01 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 AB00117024-01?
The CAS number of AB00117024-01 is 431933-41-4.
What is the molecular formula of AB00117024-01?
The molecular formula of AB00117024-01 is C18H10ClNO5S.
What is the molecular weight of AB00117024-01?
The molecular weight of AB00117024-01 is 387.00 g/mol.
Where can I buy AB00117024-01?
You can request a quote for AB00117024-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117024-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117024-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.