AF-399/41980886
TL;DR: AF-399/41980886 (CAS 618403-76-2) is a chemical compound with molecular formula C18H27N3O3S and molecular weight 365.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]piperazine-1-carboxylate
Also Known As: AF-399/41980886, F1396-0096, ethyl 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]piperazine-1-carboxylate, ethyl 4-((2-acetamido-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)methyl)piperazine-1-carboxylate, ethyl 4-{[2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothien-3-yl]methyl}-1-piperazinecarboxylate
| Molecular Formula | C18H27N3O3S |
|---|---|
| Molecular Weight | 365.18 g/mol |
| LogP | 2.8594 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.1773 |
| Heavy Atoms | 25 |
| Complexity | 635.756 |
Chemical Identifiers
| CAS Number | 618403-76-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=C(SC3=C2CCCC3)NC(=O)C |
Product Overview
AF-399/41980886 (CAS 618403-76-2), with molecular formula C18H27N3O3S and molecular weight 365.18 g/mol. IUPAC: ethyl 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]piperazine-1-carboxylate.
Chemical Property Profile of AF-399/41980886
Property Insights of AF-399/41980886
The XLogP value of 2.8594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41980886. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41980886. Following Lipinski's Rule of Five, AF-399/41980886 has 1 hydrogen bond donor(s) and 5 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 AF-399/41980886?
The CAS number of AF-399/41980886 is 618403-76-2.
What is the molecular formula of AF-399/41980886?
The molecular formula of AF-399/41980886 is C18H27N3O3S.
What is the molecular weight of AF-399/41980886?
The molecular weight of AF-399/41980886 is 365.18 g/mol.
Where can I buy AF-399/41980886?
You can request a quote for AF-399/41980886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41980886?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41980886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.