AB00089907-01
TL;DR: AB00089907-01 (CAS 309936-04-7) is a chemical compound with molecular formula C20H16N2O4S2 and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00089907-01, (5E)-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one, 3-allyl-5-[3-({4-nitrobenzyl}oxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-({3-[(4-NITROPHENYL)METHOXY]PHENYL}METHYLIDENE)-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5E)-5-{3-[(4-nitrobenzyl)oxy]benzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C20H16N2O4S2 |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 4.561 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.05515 |
| Heavy Atoms | 28 |
| Complexity | 970.4259 |
Chemical Identifiers
| CAS Number | 309936-04-7 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC(=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])/SC1=S |
Product Overview
AB00089907-01 (CAS 309936-04-7), with molecular formula C20H16N2O4S2 and molecular weight 412.06 g/mol. IUPAC: (5E)-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00089907-01
Property Insights of AB00089907-01
The XLogP value of 4.561 indicates that AB00089907-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00089907-01. Following Lipinski's Rule of Five, AB00089907-01 has 0 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 AB00089907-01?
The CAS number of AB00089907-01 is 309936-04-7.
What is the molecular formula of AB00089907-01?
The molecular formula of AB00089907-01 is C20H16N2O4S2.
What is the molecular weight of AB00089907-01?
The molecular weight of AB00089907-01 is 412.06 g/mol.
Where can I buy AB00089907-01?
You can request a quote for AB00089907-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00089907-01?
Yes, KEHONG BIO provides custom synthesis services for AB00089907-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.