AF-399/41981026
TL;DR: AF-399/41981026 (CAS 618402-10-1) is a chemical compound with molecular formula C21H25BrN2O2S and molecular weight 448.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(3-bromophenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
Also Known As: AF-399/41981026, N-[3-[(3-bromophenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide, N-(3-((3-bromophenyl)(morpholino)methyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide, F1396-0057, N-{3-[(3-bromophenyl)(4-morpholinyl)methyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}acetamide
| Molecular Formula | C21H25BrN2O2S |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 4.7694 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.082 |
| Heavy Atoms | 27 |
| Complexity | 829.5842 |
Chemical Identifiers
| CAS Number | 618402-10-1 |
|---|---|
| SMILES | CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC(=CC=C3)Br)N4CCOCC4 |
Product Overview
AF-399/41981026 (CAS 618402-10-1), with molecular formula C21H25BrN2O2S and molecular weight 448.08 g/mol. IUPAC: N-[3-[(3-bromophenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide.
Chemical Property Profile of AF-399/41981026
Property Insights of AF-399/41981026
The XLogP value of 4.7694 indicates that AF-399/41981026 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, AF-399/41981026 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41981026 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-399/41981026?
The CAS number of AF-399/41981026 is 618402-10-1.
What is the molecular formula of AF-399/41981026?
The molecular formula of AF-399/41981026 is C21H25BrN2O2S.
What is the molecular weight of AF-399/41981026?
The molecular weight of AF-399/41981026 is 448.08 g/mol.
Where can I buy AF-399/41981026?
You can request a quote for AF-399/41981026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41981026?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41981026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.