AB00114746-01
TL;DR: AB00114746-01 (CAS 431072-71-8) is a chemical compound with molecular formula C21H18N2O4S and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(4-methoxyphenyl)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: AB00114746-01, AN-698/40704661, (5Z)-3-(4-methoxyphenyl)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one, (5Z)-3-(4-methoxyphenyl)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxoimidazolidin-4-one, 3-(4-methoxyphenyl)-5-[3-methoxy-4-(2-propynyloxy)benzylidene]-2-thioxo-4-imidazolidinone
| Molecular Formula | C21H18N2O4S |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 2.978 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.09872 |
| Heavy Atoms | 28 |
| Complexity | 976.8904 |
Chemical Identifiers
| CAS Number | 431072-71-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC#C)OC)/NC2=S |
Product Overview
AB00114746-01 (CAS 431072-71-8), with molecular formula C21H18N2O4S and molecular weight 394.10 g/mol. IUPAC: (5Z)-3-(4-methoxyphenyl)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of AB00114746-01
Property Insights of AB00114746-01
The XLogP value of 2.978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00114746-01. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114746-01. Following Lipinski's Rule of Five, AB00114746-01 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 AB00114746-01?
The CAS number of AB00114746-01 is 431072-71-8.
What is the molecular formula of AB00114746-01?
The molecular formula of AB00114746-01 is C21H18N2O4S.
What is the molecular weight of AB00114746-01?
The molecular weight of AB00114746-01 is 394.10 g/mol.
Where can I buy AB00114746-01?
You can request a quote for AB00114746-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114746-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114746-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.