AB00118998-01
TL;DR: AB00118998-01 (CAS 431983-24-3) is a chemical compound with molecular formula C20H17NO7S and molecular weight 415.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(E)-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid
Also Known As: AB00118998-01, 4-(5-{(E)-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid, (E)-4-(5-((3-(2-ethoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid, 4-[5-[(E)-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid
| Molecular Formula | C20H17NO7S |
|---|---|
| Molecular Weight | 415.07 g/mol |
| LogP | 3.55262 |
| Topological Polar Surface Area | 114.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.07257 |
| Heavy Atoms | 29 |
| Complexity | 1037.2007 |
Chemical Identifiers
| CAS Number | 431983-24-3 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)/C(=C\C2=CC=C(O2)C3=C(C=C(C=C3)C(=O)O)C)/SC1=O |
Product Overview
AB00118998-01 (CAS 431983-24-3), with molecular formula C20H17NO7S and molecular weight 415.07 g/mol. IUPAC: 4-[5-[(E)-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid.
Chemical Property Profile of AB00118998-01
Property Insights of AB00118998-01
The XLogP value of 3.55262 indicates that AB00118998-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118998-01. Following Lipinski's Rule of Five, AB00118998-01 has 1 hydrogen bond donor(s) and 7 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 AB00118998-01?
The CAS number of AB00118998-01 is 431983-24-3.
What is the molecular formula of AB00118998-01?
The molecular formula of AB00118998-01 is C20H17NO7S.
What is the molecular weight of AB00118998-01?
The molecular weight of AB00118998-01 is 415.07 g/mol.
Where can I buy AB00118998-01?
You can request a quote for AB00118998-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118998-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118998-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.