AB00117733-01
TL;DR: AB00117733-01 (CAS 432012-37-8) is a chemical compound with molecular formula C20H15FN2O5S and molecular weight 414.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: AB00117733-01, methyl 4-[(Z)-(3-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate, (Z)-methyl 4-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)benzoate, methyl 4-[(3-{[N-(2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,3-thiazolidin-5 -ylidene)methyl]benzoate, methyl 4-[(3-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
| Molecular Formula | C20H15FN2O5S |
|---|---|
| Molecular Weight | 414.07 g/mol |
| LogP | 3.2873 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.06857 |
| Heavy Atoms | 29 |
| Complexity | 1019.78656 |
Chemical Identifiers
| CAS Number | 432012-37-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3F |
Product Overview
AB00117733-01 (CAS 432012-37-8), with molecular formula C20H15FN2O5S and molecular weight 414.07 g/mol. IUPAC: methyl 4-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate.
Chemical Property Profile of AB00117733-01
Property Insights of AB00117733-01
The XLogP value of 3.2873 indicates that AB00117733-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117733-01. Following Lipinski's Rule of Five, AB00117733-01 has 1 hydrogen bond donor(s) and 6 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 AB00117733-01?
The CAS number of AB00117733-01 is 432012-37-8.
What is the molecular formula of AB00117733-01?
The molecular formula of AB00117733-01 is C20H15FN2O5S.
What is the molecular weight of AB00117733-01?
The molecular weight of AB00117733-01 is 414.07 g/mol.
Where can I buy AB00117733-01?
You can request a quote for AB00117733-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117733-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117733-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.