AB00117481-01
TL;DR: AB00117481-01 (CAS 432007-76-6) is a chemical compound with molecular formula C25H19FN2O6S and molecular weight 494.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoate
Also Known As: AB00117481-01, methyl 4-{5-[(Z)-(3-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-3-methylbenzoate, (Z)-methyl 4-(5-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoate, methyl 4-[5-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoate, methyl 4-{5-[(3-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-furyl}-3-methylbenzoate
| Molecular Formula | C25H19FN2O6S |
|---|---|
| Molecular Weight | 494.09 g/mol |
| LogP | 4.85572 |
| Topological Polar Surface Area | 105.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.0948 |
| Heavy Atoms | 35 |
| Complexity | 1379.7815 |
Chemical Identifiers
| CAS Number | 432007-76-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4F |
Product Overview
AB00117481-01 (CAS 432007-76-6), with molecular formula C25H19FN2O6S and molecular weight 494.09 g/mol. IUPAC: methyl 4-[5-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoate.
Chemical Property Profile of AB00117481-01
Property Insights of AB00117481-01
The XLogP value of 4.85572 indicates that AB00117481-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117481-01. Following Lipinski's Rule of Five, AB00117481-01 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 AB00117481-01?
The CAS number of AB00117481-01 is 432007-76-6.
What is the molecular formula of AB00117481-01?
The molecular formula of AB00117481-01 is C25H19FN2O6S.
What is the molecular weight of AB00117481-01?
The molecular weight of AB00117481-01 is 494.09 g/mol.
Where can I buy AB00117481-01?
You can request a quote for AB00117481-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117481-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117481-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.