AQ-750/42051112
TL;DR: AQ-750/42051112 (CAS 690962-22-2) is a chemical compound with molecular formula C20H24FN3OS and molecular weight 373.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
Also Known As: AQ-750/42051112, F3394-0828, 4-FLUORO-N-{3-[(4-METHYLPIPERAZIN-1-YL)METHYL]-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}BENZAMIDE, 4-fluoro-N-(3-((4-methylpiperazin-1-yl)methyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide, 4-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
| Molecular Formula | C20H24FN3OS |
|---|---|
| Molecular Weight | 373.16 g/mol |
| LogP | 3.3756 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.1624 |
| Heavy Atoms | 26 |
| Complexity | 794.1328 |
Chemical Identifiers
| CAS Number | 690962-22-2 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(SC3=C2CCC3)NC(=O)C4=CC=C(C=C4)F |
Product Overview
AQ-750/42051112 (CAS 690962-22-2), with molecular formula C20H24FN3OS and molecular weight 373.16 g/mol. IUPAC: 4-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide.
Chemical Property Profile of AQ-750/42051112
Property Insights of AQ-750/42051112
The XLogP value of 3.3756 indicates that AQ-750/42051112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, AQ-750/42051112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AQ-750/42051112 has 1 hydrogen bond donor(s) and 4 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 AQ-750/42051112?
The CAS number of AQ-750/42051112 is 690962-22-2.
What is the molecular formula of AQ-750/42051112?
The molecular formula of AQ-750/42051112 is C20H24FN3OS.
What is the molecular weight of AQ-750/42051112?
The molecular weight of AQ-750/42051112 is 373.16 g/mol.
Where can I buy AQ-750/42051112?
You can request a quote for AQ-750/42051112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-750/42051112?
Yes, KEHONG BIO provides custom synthesis services for AQ-750/42051112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.