AP-906/42850401
TL;DR: AP-906/42850401 (CAS 690641-75-9) is a chemical compound with molecular formula C21H29N3O3S and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide
Also Known As: AP-906/42850401, N-(3-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4,5-dimethylthiophen-2-yl)-4-methoxybenzamide, F1654-0496, N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide, N-(3-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-4,5-dimethyl-2-thienyl)-4-methoxybenzamide
| Molecular Formula | C21H29N3O3S |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | 2.73574 |
| Topological Polar Surface Area | 65.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.19296 |
| Heavy Atoms | 28 |
| Complexity | 795.9723 |
Chemical Identifiers
| CAS Number | 690641-75-9 |
|---|---|
| SMILES | CC1=C(SC(=C1CN2CCN(CC2)CCO)NC(=O)C3=CC=C(C=C3)OC)C |
Product Overview
AP-906/42850401 (CAS 690641-75-9), with molecular formula C21H29N3O3S and molecular weight 403.19 g/mol. IUPAC: N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide.
Chemical Property Profile of AP-906/42850401
Property Insights of AP-906/42850401
The XLogP value of 2.73574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-906/42850401. The TPSA of 65.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-906/42850401. Following Lipinski's Rule of Five, AP-906/42850401 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
Frequently Asked Questions
What is the CAS number of AP-906/42850401?
The CAS number of AP-906/42850401 is 690641-75-9.
What is the molecular formula of AP-906/42850401?
The molecular formula of AP-906/42850401 is C21H29N3O3S.
What is the molecular weight of AP-906/42850401?
The molecular weight of AP-906/42850401 is 403.19 g/mol.
Where can I buy AP-906/42850401?
You can request a quote for AP-906/42850401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-906/42850401?
Yes, KEHONG BIO provides custom synthesis services for AP-906/42850401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.