AN-988/14610078
TL;DR: AN-988/14610078 (CAS 443637-33-0) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-methyl-5-[4-[(2-methylbenzoyl)amino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
Also Known As: AN-988/14610078, 2-[[4-methyl-5-[4-[(2-methylbenzoyl)amino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid, 2-{[4-methyl-5-(4-{[(2-methylphenyl)carbonyl]amino}phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid, 2-((4-methyl-5-(4-(2-methylbenzamido)phenyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid, 2-({4-Methyl-5-[4-(2-methylbenzamido)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
Technical Specifications
| Molecular Formula | C20H20N4O3S |
| Molecular Weight | 396.1256 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.1256 Da |
| Heavy Atoms | 28 |
| Complexity | 556.0 |
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SC(C)C(=O)O |
| InChIKey | YMFZHHDVDGPLCK-UHFFFAOYSA-N |
Chemical Property Profile of AN-988/14610078
Property Insights of AN-988/14610078
The XLogP value of 3.1 indicates that AN-988/14610078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/14610078. Following Lipinski's Rule of Five, AN-988/14610078 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
What is the CAS number of AN-988/14610078?
The CAS number of AN-988/14610078 is 443637-33-0.
What is the molecular formula of AN-988/14610078?
The molecular formula of AN-988/14610078 is C20H20N4O3S.
What is the molecular weight of AN-988/14610078?
The molecular weight of AN-988/14610078 is 396.1256 g/mol.
Where can I buy AN-988/14610078?
You can request a quote for AN-988/14610078 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AN-988/14610078?
Yes, CoreyChem provides custom synthesis services for AN-988/14610078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.