AF-399/15036728
TL;DR: AF-399/15036728 (CAS 329225-08-3) is a chemical compound with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
Also Known As: AF-399/15036728, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenoxy)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(4-isopropylphenoxy)acetamide, N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-2-[4-(methylethyl)phenoxy ]acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(propan-2-yl)phenoxy]acetamide
| Molecular Formula | C20H22N2O2S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 4.63948 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.1402 |
| Heavy Atoms | 25 |
| Complexity | 800.33905 |
Chemical Identifiers
| CAS Number | 329225-08-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
AF-399/15036728 (CAS 329225-08-3), with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenoxy)acetamide.
Chemical Property Profile of AF-399/15036728
Property Insights of AF-399/15036728
The XLogP value of 4.63948 indicates that AF-399/15036728 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15036728. Following Lipinski's Rule of Five, AF-399/15036728 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 AF-399/15036728?
The CAS number of AF-399/15036728 is 329225-08-3.
What is the molecular formula of AF-399/15036728?
The molecular formula of AF-399/15036728 is C20H22N2O2S.
What is the molecular weight of AF-399/15036728?
The molecular weight of AF-399/15036728 is 354.14 g/mol.
Where can I buy AF-399/15036728?
You can request a quote for AF-399/15036728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15036728?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15036728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.