AB00115755-01
TL;DR: AB00115755-01 (CAS 431892-49-8) is a chemical compound with molecular formula C23H21FN2O7S and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-ethoxy-4-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
Also Known As: AB00115755-01, methyl {2-ethoxy-4-[(Z)-(3-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetate, (Z)-methyl 2-(2-ethoxy-4-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)acetate, methyl {2-ethoxy-4-[(3-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetate, METHYL 2-[2-ETHOXY-4-({3-[2-(2-FLUOROANILINO)-2-OXOETHYL]-2,4-DIOXO-1,3-THIAZOLAN-5-YLIDEN}METHYL)PHENOXY]ACETATE
| Molecular Formula | C23H21FN2O7S |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 3.4512 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.10535 |
| Heavy Atoms | 34 |
| Complexity | 1151.8885 |
Chemical Identifiers
| CAS Number | 431892-49-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3F)OCC(=O)OC |
Product Overview
AB00115755-01 (CAS 431892-49-8), with molecular formula C23H21FN2O7S and molecular weight 488.11 g/mol. IUPAC: methyl 2-[2-ethoxy-4-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate.
Chemical Property Profile of AB00115755-01
Property Insights of AB00115755-01
The XLogP value of 3.4512 indicates that AB00115755-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115755-01. Following Lipinski's Rule of Five, AB00115755-01 has 1 hydrogen bond donor(s) and 8 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 AB00115755-01?
The CAS number of AB00115755-01 is 431892-49-8.
What is the molecular formula of AB00115755-01?
The molecular formula of AB00115755-01 is C23H21FN2O7S.
What is the molecular weight of AB00115755-01?
The molecular weight of AB00115755-01 is 488.11 g/mol.
Where can I buy AB00115755-01?
You can request a quote for AB00115755-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115755-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115755-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.