AP521
TL;DR: AP521 (CAS 151227-08-6) is a chemical compound with molecular formula C20H19ClN2O3S and molecular weight 402.0805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide;hydrochloride
Also Known As: AP521, AP521?, (1)Benzothieno(2,3-C)pyridine-3-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydro-, monohydrochloride, (3R)-, (1)Benzothieno(2,3-C)pyridine-3-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydro-, monohydrochloride, (R)-, (4R)-N-(2H-1,3-Benzodioxol-5-ylmethyl)-8-thia-5-azatricyclo(7.4.0.0(2,7))trideca-1(9),2(7),10,12-tetraene-4-carboxamide hydrochloride
Technical Specifications
| Molecular Formula | C20H19ClN2O3S |
| Molecular Weight | 402.0805 g/mol |
| XLogP | 3.3825 |
| Topological Polar Surface Area (TPSA) | 87.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.0805 Da |
| Heavy Atoms | 27 |
| Complexity | 533.0 |
| SMILES | C1[C@@H](NCC2=C1C3=CC=CC=C3S2)C(=O)NCC4=CC5=C(C=C4)OCO5.Cl |
| InChIKey | IPRJDKMLMDPMBH-XFULWGLBSA-N |
Chemical Property Profile of AP521
Property Insights of AP521
The XLogP value of 3.3825 indicates that AP521 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AP521. Following Lipinski's Rule of Five, AP521 has 3 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 AP521?
The CAS number of AP521 is 151227-08-6.
What is the molecular formula of AP521?
The molecular formula of AP521 is C20H19ClN2O3S.
What is the molecular weight of AP521?
The molecular weight of AP521 is 402.0805 g/mol.
Where can I buy AP521?
You can request a quote for AP521 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AP521?
Yes, CoreyChem provides custom synthesis services for AP521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.