AP-906/42850397
TL;DR: AP-906/42850397 (CAS 690641-71-5) is a chemical compound with molecular formula C22H29N3O4S and molecular weight 431.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(4-methoxybenzoyl)amino]-4,5-dimethylthiophen-3-yl]methyl]piperazine-1-carboxylate
Also Known As: AP-906/42850397, F1654-0492, ethyl 4-((2-(4-methoxybenzamido)-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate, ethyl 4-[[2-[(4-methoxybenzoyl)amino]-4,5-dimethylthiophen-3-yl]methyl]piperazine-1-carboxylate, ethyl 4-{[2-(4-methoxybenzamido)-4,5-dimethylthiophen-3-yl]methyl}piperazine-1-carboxylate
| Molecular Formula | C22H29N3O4S |
|---|---|
| Molecular Weight | 431.19 g/mol |
| LogP | 3.89994 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.18787 |
| Heavy Atoms | 30 |
| Complexity | 886.5328 |
Chemical Identifiers
| CAS Number | 690641-71-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=C(SC(=C2C)C)NC(=O)C3=CC=C(C=C3)OC |
Product Overview
AP-906/42850397 (CAS 690641-71-5), with molecular formula C22H29N3O4S and molecular weight 431.19 g/mol. IUPAC: ethyl 4-[[2-[(4-methoxybenzoyl)amino]-4,5-dimethylthiophen-3-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of AP-906/42850397
Property Insights of AP-906/42850397
The XLogP value of 3.89994 indicates that AP-906/42850397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-906/42850397. Following Lipinski's Rule of Five, AP-906/42850397 has 1 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-906/42850397?
The CAS number of AP-906/42850397 is 690641-71-5.
What is the molecular formula of AP-906/42850397?
The molecular formula of AP-906/42850397 is C22H29N3O4S.
What is the molecular weight of AP-906/42850397?
The molecular weight of AP-906/42850397 is 431.19 g/mol.
Where can I buy AP-906/42850397?
You can request a quote for AP-906/42850397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-906/42850397?
Yes, KEHONG BIO provides custom synthesis services for AP-906/42850397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.