AN-698/40780669
TL;DR: AN-698/40780669 (CAS 430468-99-8) is a chemical compound with molecular formula C24H24N2O6S and molecular weight 468.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-[1-(3,4-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]propanoic acid
Also Known As: AN-698/40780669, AB00113643-01, (Z)-2-(4-((1-(3,4-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-ethoxyphenoxy)propanoic acid, 2-[4-[(Z)-[1-(3,4-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]propanoic acid, 2-{4-[(1-(3,4-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-ethoxyphenoxy}propanoic acid
| Molecular Formula | C24H24N2O6S |
|---|---|
| Molecular Weight | 468.14 g/mol |
| LogP | 3.38534 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.1355 |
| Heavy Atoms | 33 |
| Complexity | 1173.5396 |
Chemical Identifiers
| CAS Number | 430468-99-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC(=C(C=C3)C)C)OC(C)C(=O)O |
Product Overview
AN-698/40780669 (CAS 430468-99-8), with molecular formula C24H24N2O6S and molecular weight 468.14 g/mol. IUPAC: 2-[4-[(Z)-[1-(3,4-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]propanoic acid.
Chemical Property Profile of AN-698/40780669
Property Insights of AN-698/40780669
The XLogP value of 3.38534 indicates that AN-698/40780669 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40780669. Following Lipinski's Rule of Five, AN-698/40780669 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-698/40780669?
The CAS number of AN-698/40780669 is 430468-99-8.
What is the molecular formula of AN-698/40780669?
The molecular formula of AN-698/40780669 is C24H24N2O6S.
What is the molecular weight of AN-698/40780669?
The molecular weight of AN-698/40780669 is 468.14 g/mol.
Where can I buy AN-698/40780669?
You can request a quote for AN-698/40780669 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40780669?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40780669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.