AB00115550-01
TL;DR: AB00115550-01 (CAS 431890-31-2) is a chemical compound with molecular formula C22H20N2O6S and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(Z)-[3-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
Also Known As: AB00115550-01, AN-698/40781666, methyl {4-[(Z)-(3-{2-[(4-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetate, methyl 2-[4-[(Z)-[3-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate, (Z)-methyl 2-(4-((2,4-dioxo-3-(2-oxo-2-(p-tolylamino)ethyl)thiazolidin-5-ylidene)methyl)phenoxy)acetate
| Molecular Formula | C22H20N2O6S |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 3.22182 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.10422 |
| Heavy Atoms | 31 |
| Complexity | 1030.9716 |
Chemical Identifiers
| CAS Number | 431890-31-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)OC)/SC2=O |
Product Overview
AB00115550-01 (CAS 431890-31-2), with molecular formula C22H20N2O6S and molecular weight 440.10 g/mol. IUPAC: methyl 2-[4-[(Z)-[3-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate.
Chemical Property Profile of AB00115550-01
Property Insights of AB00115550-01
The XLogP value of 3.22182 indicates that AB00115550-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115550-01. Following Lipinski's Rule of Five, AB00115550-01 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 AB00115550-01?
The CAS number of AB00115550-01 is 431890-31-2.
What is the molecular formula of AB00115550-01?
The molecular formula of AB00115550-01 is C22H20N2O6S.
What is the molecular weight of AB00115550-01?
The molecular weight of AB00115550-01 is 440.10 g/mol.
Where can I buy AB00115550-01?
You can request a quote for AB00115550-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115550-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115550-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.