(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone
TL;DR: (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone (CAS 898159-01-8) is a chemical compound with molecular formula C17H26N2OS and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
Also Known As: (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone, (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone, (5-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone, 5-ethyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl) 4-methyl(1,4-diazaperhydroepi nyl) ketone
| Molecular Formula | C17H26N2OS |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 3.0407 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.17657 |
| Heavy Atoms | 21 |
| Complexity | 510.88843 |
Chemical Identifiers
| CAS Number | 898159-01-8 |
|---|---|
| SMILES | CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCCN(CC3)C |
Product Overview
(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone (CAS 898159-01-8), with molecular formula C17H26N2OS and molecular weight 306.18 g/mol. IUPAC: (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.
Chemical Property Profile of (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone
Property Insights of (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone
The XLogP value of 3.0407 indicates that (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone has 0 hydrogen bond donor(s) and 3 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 (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone?
The CAS number of (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone is 898159-01-8.
What is the molecular formula of (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone?
The molecular formula of (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone is C17H26N2OS.
What is the molecular weight of (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone?
The molecular weight of (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone is 306.18 g/mol.
Where can I buy (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone?
You can request a quote for (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.