AB00120529-01
TL;DR: AB00120529-01 (CAS 402729-68-4) is a chemical compound with molecular formula C19H17NO6S2 and molecular weight 419.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl] 4-methylbenzenesulfonate
Also Known As: AB00120529-01, AH-487/40936288, 4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl 4-methylbenzenesulfonate, 4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl 4-methylbenzenesulfonate, (Z)-4-((2,4-dioxothiazolidin-5-ylidene)methyl)-2-ethoxyphenyl 4-methylbenzenesulfonate
| Molecular Formula | C19H17NO6S2 |
|---|---|
| Molecular Weight | 419.05 g/mol |
| LogP | 3.48532 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.04974 |
| Heavy Atoms | 28 |
| Complexity | 1058.3314 |
Chemical Identifiers
| CAS Number | 402729-68-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)S2)OS(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
AB00120529-01 (CAS 402729-68-4), with molecular formula C19H17NO6S2 and molecular weight 419.05 g/mol. IUPAC: [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of AB00120529-01
Property Insights of AB00120529-01
The XLogP value of 3.48532 indicates that AB00120529-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00120529-01. Following Lipinski's Rule of Five, AB00120529-01 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 AB00120529-01?
The CAS number of AB00120529-01 is 402729-68-4.
What is the molecular formula of AB00120529-01?
The molecular formula of AB00120529-01 is C19H17NO6S2.
What is the molecular weight of AB00120529-01?
The molecular weight of AB00120529-01 is 419.05 g/mol.
Where can I buy AB00120529-01?
You can request a quote for AB00120529-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00120529-01?
Yes, KEHONG BIO provides custom synthesis services for AB00120529-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.