AB00113806-01
TL;DR: AB00113806-01 (CAS 430470-90-9) is a chemical compound with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: AB00113806-01, AN-698/40705288, (5Z)-5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one, 5-[4-(allyloxy)-3-ethoxybenzylidene]-3-(4-methoxyphenyl)-2-thioxo-4-imidazolidinone, (5Z)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)benzylidene]-3-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one
| Molecular Formula | C22H22N2O4S |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 3.9209 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.13004 |
| Heavy Atoms | 29 |
| Complexity | 953.78467 |
Chemical Identifiers
| CAS Number | 430470-90-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)OC)OCC=C |
Product Overview
AB00113806-01 (CAS 430470-90-9), with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol. IUPAC: (5Z)-5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of AB00113806-01
Property Insights of AB00113806-01
The XLogP value of 3.9209 indicates that AB00113806-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00113806-01. Following Lipinski's Rule of Five, AB00113806-01 has 1 hydrogen bond donor(s) and 5 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 AB00113806-01?
The CAS number of AB00113806-01 is 430470-90-9.
What is the molecular formula of AB00113806-01?
The molecular formula of AB00113806-01 is C22H22N2O4S.
What is the molecular weight of AB00113806-01?
The molecular weight of AB00113806-01 is 410.13 g/mol.
Where can I buy AB00113806-01?
You can request a quote for AB00113806-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113806-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113806-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.