AB00099658-01
TL;DR: AB00099658-01 (CAS 1164528-39-5) is a chemical compound with molecular formula C20H17N3O3S and molecular weight 379.09906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(Z)-3-(4-methoxyanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide
Also Known As: AB00099658-01, AE-848/13005063, N-[(Z)-3-(4-methoxyanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide, N-[1-{[(4-methoxyphenyl)amino]carbonyl}-2-(3-pyridinyl)vinyl]-2-thiophenecarboxamide, N-[(1Z)-3-[(4-methoxyphenyl)amino]-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]thiophene-2-carboxamide
Technical Specifications
| Molecular Formula | C20H17N3O3S |
| Molecular Weight | 379.09906 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.09906 Da |
| Heavy Atoms | 27 |
| Complexity | 547.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CN=CC=C2)/NC(=O)C3=CC=CS3 |
| InChIKey | QFXRNRYHUUPFCQ-ATVHPVEESA-N |
Chemical Property Profile of AB00099658-01
Property Insights of AB00099658-01
The XLogP value of 3.1 indicates that AB00099658-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00099658-01. Following Lipinski's Rule of Five, AB00099658-01 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB00099658-01?
The CAS number of AB00099658-01 is 1164528-39-5.
What is the molecular formula of AB00099658-01?
The molecular formula of AB00099658-01 is C20H17N3O3S.
What is the molecular weight of AB00099658-01?
The molecular weight of AB00099658-01 is 379.09906 g/mol.
Where can I buy AB00099658-01?
You can request a quote for AB00099658-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00099658-01?
Yes, CoreyChem provides custom synthesis services for AB00099658-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.