Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone
TL;DR: Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone (CAS 333396-86-4) is a chemical compound with molecular formula C15H15Cl2NOS and molecular weight 327.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone
Also Known As: BAS 00483386, azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone, 1-(3,6-dichloro-1-benzothiophene-2-carbonyl)azepane, 1-[(3,6-dichloro-1-benzothien-2-yl)carbonyl]azepane, 1-[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]azepane
| Molecular Formula | C15H15Cl2NOS |
|---|---|
| Molecular Weight | 327.03 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.02515 |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 333396-86-4 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl |
| InChIKey | HZXUZPVUQDNHJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone (CAS 333396-86-4), with molecular formula C15H15Cl2NOS and molecular weight 327.03 g/mol. IUPAC: azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone.
Chemical Property Profile of Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone
Property Insights of Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone
The XLogP value of 5.2 indicates that Azepan-1-yl-(3,6-dichloro-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 48.6 Ų, Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone?
The CAS number of Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone is 333396-86-4.
What is the molecular formula of Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone?
The molecular formula of Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone is C15H15Cl2NOS.
What is the molecular weight of Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone?
The molecular weight of Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone is 327.03 g/mol.
Where can I buy Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone?
You can request a quote for Azepan-1-yl-(3,6-dichloro-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 Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl-(3,6-dichloro-1-benzothiophen-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.