Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
TL;DR: Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (CAS 898157-36-3) is a chemical compound with molecular formula C16H23NOS and molecular weight 277.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Also Known As: azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone, azaperhydroocinyl 4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl ketone, 1-AZOCANYL(4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)METHANONE
| Molecular Formula | C16H23NOS |
|---|---|
| Molecular Weight | 277.15 g/mol |
| LogP | 4.0332 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.15002 |
| Heavy Atoms | 19 |
| Complexity | 420.10144 |
Chemical Identifiers
| CAS Number | 898157-36-3 |
|---|---|
| SMILES | C1CCCN(CCC1)C(=O)C2=CC3=C(S2)CCCC3 |
Product Overview
Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (CAS 898157-36-3), with molecular formula C16H23NOS and molecular weight 277.15 g/mol. IUPAC: azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
Chemical Property Profile of Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Property Insights of Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
The XLogP value of 4.0332 indicates that Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone has 0 hydrogen bond donor(s) and 2 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 Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The CAS number of Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is 898157-36-3.
What is the molecular formula of Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The molecular formula of Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is C16H23NOS.
What is the molecular weight of Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The molecular weight of Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is 277.15 g/mol.
Where can I buy Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
You can request a quote for Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Azocan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.