AN-698/40705445
TL;DR: AN-698/40705445 (CAS 431075-44-4) is a chemical compound with molecular formula C21H20N2O6S and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-ethoxy-4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
Also Known As: AN-698/40705445, AB00114987-01, (2-ethoxy-4-{(Z)-[1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-ylidene]methyl}phenoxy)acetic acid, 2-[2-ethoxy-4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenoxy]acetic acid, (2-ethoxy-4-{[1-(4-methoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinylidene]methyl}phenoxy)acetic acid
| Molecular Formula | C21H20N2O6S |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 2.8195 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.10422 |
| Heavy Atoms | 30 |
| Complexity | 1003.0562 |
Chemical Identifiers
| CAS Number | 431075-44-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)OC)OCC(=O)O |
Product Overview
AN-698/40705445 (CAS 431075-44-4), with molecular formula C21H20N2O6S and molecular weight 428.10 g/mol. IUPAC: 2-[2-ethoxy-4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of AN-698/40705445
Property Insights of AN-698/40705445
The XLogP value of 2.8195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-698/40705445. The TPSA of 97.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40705445. Following Lipinski's Rule of Five, AN-698/40705445 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 AN-698/40705445?
The CAS number of AN-698/40705445 is 431075-44-4.
What is the molecular formula of AN-698/40705445?
The molecular formula of AN-698/40705445 is C21H20N2O6S.
What is the molecular weight of AN-698/40705445?
The molecular weight of AN-698/40705445 is 428.10 g/mol.
Where can I buy AN-698/40705445?
You can request a quote for AN-698/40705445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40705445?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40705445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.