ChemDiv1_008784
TL;DR: ChemDiv1_008784 (CAS 2411852-67-8) is a chemical compound with molecular formula C20H18N2O6S and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-methoxy-4-[[1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
Also Known As: ChemDiv1_008784, AN-698/40705403, (Z)-2-(2-Methoxy-4-((1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)phenoxy)acetic acid, 2-[2-methoxy-4-[[1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenoxy]acetic acid, 2-methoxy-4-{[1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxyacetic acid
| Molecular Formula | C20H18N2O6S |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 2.4294 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.08856 |
| Heavy Atoms | 29 |
| Complexity | 986.966 |
Chemical Identifiers
| CAS Number | 2411852-67-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)OC)NC2=S |
Product Overview
ChemDiv1_008784 (CAS 2411852-67-8), with molecular formula C20H18N2O6S and molecular weight 414.09 g/mol. IUPAC: 2-[2-methoxy-4-[[1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of ChemDiv1_008784
Property Insights of ChemDiv1_008784
The XLogP value of 2.4294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_008784. The TPSA of 97.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008784. Following Lipinski's Rule of Five, ChemDiv1_008784 has 2 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 ChemDiv1_008784?
The CAS number of ChemDiv1_008784 is 2411852-67-8.
What is the molecular formula of ChemDiv1_008784?
The molecular formula of ChemDiv1_008784 is C20H18N2O6S.
What is the molecular weight of ChemDiv1_008784?
The molecular weight of ChemDiv1_008784 is 414.09 g/mol.
Where can I buy ChemDiv1_008784?
You can request a quote for ChemDiv1_008784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008784?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.