AB00117086-01
TL;DR: AB00117086-01 (CAS 431994-34-2) is a chemical compound with molecular formula C21H18N2O6S and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
Also Known As: AB00117086-01, (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione, (5E)-5-[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzylidene]-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C21H18N2O6S |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 4.274 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.08856 |
| Heavy Atoms | 30 |
| Complexity | 1079.1614 |
Chemical Identifiers
| CAS Number | 431994-34-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)CC=C)/C=C/2\C(=O)N(C(=O)S2)CC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
AB00117086-01 (CAS 431994-34-2), with molecular formula C21H18N2O6S and molecular weight 426.09 g/mol. IUPAC: (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AB00117086-01
Property Insights of AB00117086-01
The XLogP value of 4.274 indicates that AB00117086-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117086-01. Following Lipinski's Rule of Five, AB00117086-01 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 AB00117086-01?
The CAS number of AB00117086-01 is 431994-34-2.
What is the molecular formula of AB00117086-01?
The molecular formula of AB00117086-01 is C21H18N2O6S.
What is the molecular weight of AB00117086-01?
The molecular weight of AB00117086-01 is 426.09 g/mol.
Where can I buy AB00117086-01?
You can request a quote for AB00117086-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117086-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117086-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.