ASN 14593819
TL;DR: ASN 14593819 (CAS 956792-52-2) is a chemical compound with molecular formula C18H20N4O5S and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4,4-dimethyl-3,8-dioxo-1-sulfanylidene-6,7-dihydropyrazolo[1,2-a][1,2,4]triazine-6-carbonyl)amino]benzoate
Also Known As: ASN 14593819, ethyl 4-{[(4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazin-6-yl)carbonyl]amino}benzoate, ethyl 4-(1-mercapto-4,4-dimethyl-3,8-dioxo-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamido)benzoate, ethyl 4-[(4,4-dimethyl-3,8-dioxo-1-sulfanylidene-6,7-dihydropyrazolo[1,2-a][1,2,4]triazine-6-carbonyl)amino]benzoate, ethyl 4-[(4,4-dimethyl-3,8-dioxo-1-sulfanylpyrazolidino[1,2-a]1,2,4-triazin-6- yl)carbonylamino]benzoate
| Molecular Formula | C18H20N4O5S |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 0.813 |
| Topological Polar Surface Area | 108.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.11545 |
| Heavy Atoms | 28 |
| Complexity | 867.2319 |
Chemical Identifiers
| CAS Number | 956792-52-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N3N2C(C(=O)NC3=S)(C)C |
Product Overview
ASN 14593819 (CAS 956792-52-2), with molecular formula C18H20N4O5S and molecular weight 404.12 g/mol. IUPAC: ethyl 4-[(4,4-dimethyl-3,8-dioxo-1-sulfanylidene-6,7-dihydropyrazolo[1,2-a][1,2,4]triazine-6-carbonyl)amino]benzoate.
Chemical Property Profile of ASN 14593819
Property Insights of ASN 14593819
The XLogP value of 0.813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 14593819. The TPSA of 108.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 14593819. Following Lipinski's Rule of Five, ASN 14593819 has 2 hydrogen bond donor(s) and 7 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 ASN 14593819?
The CAS number of ASN 14593819 is 956792-52-2.
What is the molecular formula of ASN 14593819?
The molecular formula of ASN 14593819 is C18H20N4O5S.
What is the molecular weight of ASN 14593819?
The molecular weight of ASN 14593819 is 404.12 g/mol.
Where can I buy ASN 14593819?
You can request a quote for ASN 14593819 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 14593819?
Yes, KEHONG BIO provides custom synthesis services for ASN 14593819 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.